Tag: M.W=0-100

Authors He, SR; Cao, CC; Wang, JL; Yang, JZ; Cheng, ZJ; Yan, BB; Pan, Y; Chen, GY in ELSEVIER published article about DAIRY MANURE; PY-GC/MS; TG-FTIR; COMBUSTION; CONVERSION; BIOOIL; TEMPERATURE; MECHANISM; KINETICS; LIGNIN in [He, Sirong; Cao, Congcong; Wang, Jinglan; Cheng, Zhanjun; Yan, Beibei] Tianjin Univ, Sch Environm Sci & Engn, Tianjin 300072, Peoples R China; [Yang, Jiuzhong; Pan, Yang] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China; [Cheng, Zhanjun; Yan, Beibei] Tianjin Univ, Tianjin Engn Res Ctr Organ Wastes Safe Disposal &, Tianjin Key Lab Biomass Waste Utilizat, Key Lab Efficient Utilizat Low & Medium Energy, Tianjin 300072, Peoples R China; [Chen, Guanyi] Tianjin Univ Commerce, Sch Mech Engn, Tianjin 300134, Peoples R China in 2020.0, Cited 38.0. COA of Formula: C5H8N2. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

Cattle manure is a kind of abundant agriculture waste but potential renewable resource to be converted into fuel by pyrolysis. The pyrolysis behavior of cattle manure was analyzed by three methods in this work: thermogravimetric analyzer (TG), pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS) and pyrolysis photoionization time-of-flight mass spectrometry (Py-PI-TOFMS). The pyrolysis process of cattle manure included four stages, dehydration stage, lignocellulose decomposition stage, lignin and protein decomposition stage, char and mineral matter decomposition stage. The products were mainly classified into six groups: ketones, aldehydes, phenolic compounds, acids, hydrocarbons and N-containing compounds. Based on the time-evolved profiles and temperature-programmed profiles, the characteristics of these major products were analyzed and discussed. Maillard reaction has great effects on the pyrolysis process of cattle manure because cellulose can easily react with protein to produce abundant Amadori products and then generate cyclopentanes and furanmethanol. In addition, some Amadori products and amino acids can also be cyclized to generate N-heterocycle compounds like pyrroles and pyrazines. The decomposition of lignin basic units with more methoxy groups require higher reaction temperature, and the removal of hydroxy and methoxy group on phenols mainly occurred at around 350 degrees C. Furthermore, primary decomposition pathways of cattle manure were also proposed and discussed.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact He, SR; Cao, CC; Wang, JL; Yang, JZ; Cheng, ZJ; Yan, BB; Pan, Y; Chen, GY or concate me.. COA of Formula: C5H8N2

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

An article Luminescent Rhenium(I)tricarbonyl Complexes Containing Different Pyrazoles and Their Successive Deprotonation Products: CO2 Reduction Electrocatalysts WOS:000558727500078 published article about DENSITY-FUNCTIONAL THEORY; RHENIUM(I) TRICARBONYL COMPLEXES; TRANSITION-METAL-COMPLEXES; EFFECTIVE CORE POTENTIALS; PROTON RESPONSIVE LIGAND; ACID-BASE PROPERTIES; EXCITED-STATE; RE(I) COMPLEXES; CHARGE-TRANSFER; CARBON-DIOXIDE in [Merillas, Beatriz; Cuellar, Elena; Martin-Alvarez, Jose M.; Miguel, Daniel; Villafane, Fernando] Univ Valladolid, Fac Ciencias, GIR MIOMeT IU Cinquima Quim Inorgan, Campus Miguel Delibes, Valladolid 47011, Spain; [Diez-Varga, Alberto; Torroba, Tomas; Garcia-Herbosa, Gabriel] Univ Burgos, Fac Ciencias, Dept Quim, Burgos 09001, Spain; [Fernandez, Sergio; Lloret-Fillol, Julio] Barcelona Inst Sci & Technol, Inst Chem Res Catalonia ICIQ, Tarragona 43007, Spain; [Lloret-Fillol, Julio] Catalan Inst Res & Adv Studies ICREA, Barcelona 08010, Spain in 2020.0, Cited 100.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. Recommanded Product: 3,5-Dimethyl-1H-pyrazole

Cationic fac-[Re(CO)(3)(pz*H)(pypzH)]OTf (pz*H = pyrazole, pzH; 3,5-dimethylpyrazole, dmpzH; indazole, indzH; 3-(2-pyridyl)pyrazole, pypzH) were obtained from fac[ReBr(CO)(3)(pypzH)] by halide abstraction with AgOTf and subsequent addition of the corresponding pyrazole. Successive deprotonation with Na2CO3 and NaOH gave neutral fac[Re(CO)(3)(pz*H)(pypz)] and anionic Na{fac-[Re(CO)(3)(pz*)(pypz)]} complexes, respectively. Cationic fac-[Re(CO)(3)(pz*H)(pypzH)]OTf, neutral complexes fac-[Re(CO)(3)(pz*H)(pypz)], and fac-[Re(CO)(3)(pypz)(2)Na] were subjected to photophysical and electrochemical studies. They exhibit phosphorescent decays from a prevalently (MLCT)-M-3 excited state with quantum yields (F) in the range between 0.03 and 0.58 and long lifetimes (tau from 220 to 869 ns). The electrochemical behavior in Ar atmosphere of cationic and neutral complexes indicates that the oxidation processes assigned to Re-I -> Re-II occurs at lower potentials for the neutral complex compared to cationic complex. The reduction processes occur at the ligands and do not depend on the charge of the complexes. The electrochemical behavior in CO2 saturated media is consistent with CO2 electrocatalyzed reduction, where the values of the catalytic activity [i(cat)(CO2)/i(cat)(Ar)] ranged from 2.7 to 11.5 (compared to 8.1 for fac-[Re(CO)(3)Cl(bipy)] studied as a reference). Controlled potential electrolysis for the pyrazole cationic (3a) and neutral (4a) complexes after 1 h affords CO in faraday yields of 61 and 89%, respectively. These values are higher for indazole complexes and may be related to the acidity of the coordinated pyrazole.

Recommanded Product: 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Merillas, B; Cuellar, E; Diez-Varga, A; Torroba, T; Garcia-Herbosa, G; Fernandez, S; Lloret-Fillol, J; Martin-Alvarez, JM; Miguel, D; Villafane, F or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Computed Properties of C5H8N2. In 2019.0 J MOL LIQ published article about WASTE-WATER; BPA; OZONATION; REMOVAL in [MubarakAli, Davoodbasha; Lee, Sang-Yul; Kim, Jung-Wan] Incheon Natl Univ, Coll Life Sci & Bioengn, Div Bioengn, Incheon, South Korea; [MubarakAli, Davoodbasha] Korea Aerosp Univ, Dept Mat Engn, Ctr Surface Technol & Applicat CeSTA, Goyang, South Korea; [MubarakAli, Davoodbasha; Srinivasan, Hemalatha; Kim, Jung-Wan] BS Abdur Rahman Crescent Inst Sci & Technol, Sch Life Sci, Chennai, Tamil Nadu, India; [Park, Jihae; Han, Taejun] Incheon Natl Univ, Coll Life Sci & Bioengn, Dept Marine Sci, Incheon, South Korea in 2019.0, Cited 28.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

Bisphenol A (BPA) is a potential endocrine disruptor. It causes hormonal imbalances and also affects aquatic organisms when discharged in untreated form into the ecosystems. Many attempts have been made to degrade BPA in the liquid phase using chemical and or biological methods, which often require multiple steps and are not effective to any great extent. In this study, solution plasma process (SPP) was adopted for the degradation of BPA in liquid phase. BPA at a constant concentration (100 mg. mL(-1)) was degraded using SPP at various of discharge times (0-45 min) and various pH (3-6). Physical conditions for SPP were voltage at 800 V, frequency 35 kHz with bandwidth of 2 mu S and unipolar and bipolar power supplies were used. The degraded BPA was extracted and investigated for the degradation adopting Gas chromatography-Mass Spectroscopy (GC-MS). During SPP, intermediates were formed at 15 min of treatment, and degradation was achieved to a maximum of 86% at 18 min. The GC-MS results revealed that dimethyl ester (91%), hydroxyl-bicyclooctenone (56%), imidazole (23%), pyridine (10%) and benzene (9%) fragments were formed abundantly due to plasma treatment. Plasma-treated BPA was not toxic to aquatic fern, Lemna minor as revealed in relative growth rate (RGR(area)) analysis. SPP causes release of free radicals, which are actively involved in BPA degradation without any additive chemicals. The approach in this study could be projected as an effective SPP-based clean-technology for degradation of toxicants in the aquatic ecosystems and also for effective wastewater treatment. (C) 2018 Published by Elsevier B.V.

Computed Properties of C5H8N2. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact MubarakAli, D; Park, J; Han, T; Srinivasan, H; Lee, SY; Kim, JW or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Recently I am researching about 2+2 PHOTOCYCLOADDITION REACTIONS; ENANTIOSELECTIVE SYNTHESIS; CASCADE REACTION; CYCLOADDITION; CATALYSIS; ENALS, Saw an article supported by the Guangzhou University of Chinese Medicine, Pearl River Talents Recruitment Program of Guangdong Province [2017GC010361]; Department of Education of Guangdong ProvinceNational Natural Science Foundation of Guangdong Province [2016KCXTD015]; Jiangmen Program for I nnovative Research Team [2018630100180019806]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Chen, YZ; Wang, YC; Wang, SZ; Ma, YY; Zhao, DG; Zhan, RT; Huang, HC. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole. Name: 3,5-Dimethyl-1H-pyrazole

The construction of cyclobutanes has attracted much attention because of its unique four-membered ring skeleton. Herein, we report the highly enantioselective direct vinylogous Michael reaction of beta,gamma-unsaturated pyrazole amides and nitroolefin using a squaramide catalyst. Cyclobutane derivatives were obtained by subsequent cyclization in good yields (up to 85%) with excellent enantioselectivities (up to 99% ee). Importantly, the large-scale reaction experiment confirmed the reliability of the vinylogous reaction. Furthermore, the synthetic utility of the vinylogous adducts and cyclobutane derivatives has been realized.

Name: 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Chen, YZ; Wang, YC; Wang, SZ; Ma, YY; Zhao, DG; Zhan, RT; Huang, HC or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Formula: C5H8N2. In 2020.0 J MOL LIQ published article about ENTHALPIES; VAPORIZATION in [Herrera-Castro, Filiberto; Alfonso Torres, Luis] Ctr Invest & Estudios Avanzados, Dept Quim, Av IPN 2508, Ciudad De Mexico 07360, Mexico in 2020.0, Cited 20.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

The study of the relationship between intermolecular interactions present in the solvation process and the magnitude of thermodynamic properties is extended from imidazole to pyrazole derivatives. The enthalpies of solution of pyrazole, 3,5-dimethylpyrazole and 3,4,5-trimethylpyrazole were calorimetrically determined in the solvents water, methanol and acetonitrile. The enthalpy of solution values for the three compounds in the three solvents are endothermic and spontaneous with an increase in entropy. As in the case with imidazole derivatives, the formation of a solution of pyrazole derivatives creates liquids that are more structured thermodynamically. The enthalpy of sublimation for 3,4,5-trimethylpyrazole, which is not available in the literature, was determined by the Knudsen effusion method. The combination of these thermodynamic properties has allowed the corresponding enthalpies of solvation to be obtained for the three pyrazole derivatives in the three selected solvents. With the use of the Pierotti equations and the enthalpies of solvation, the enthalpies of cavity formation were calculated along with the corresponding solute-solvent enthalpies of interaction. The infrared spectra and molecular volumes, as estimated through the electronic density, were used to obtain molecular insights into the solvation sensible sites within the studied solute molecules. The discussion of the solvation process and enthalpies of interaction of the pyrazole derivatives is based on the molecular structural features of solutes, specific intermolecular interactions and protic or aprotic nature of the solvents. The use of any empirical parameters in the discussion of the results was avoided. (C) 2020 Elsevier B.V. All rights reserved.

Formula: C5H8N2. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Herrera-Castro, F; Torres, LA or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

An article Enantio- and Site-Selective alpha-Fluorination of N-Acyl 3,5-Dimethylpyrazoles Catalyzed by Chiral pi-Cu-II Complexes WOS:000557994700001 published article about DIELS-ALDER; ENANTIOSELECTIVE FLUORINATION; CRYSTAL-STRUCTURE; CATION; PROPIOLOYLPYRAZOLES; CYCLOADDITION; ACYLPYRAZOLES; DESIGN; ROUTE; SET in [Ishihara, Kazuaki; Nishimura, Kazuki; Yamakawa, Katsuya] Nagoya Univ, Grad Sch Engn, Chikusa Ku, B2-3 611,Furo Cho, Nagoya, Aichi 4648603, Japan in 2020.0, Cited 49.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. Recommanded Product: 3,5-Dimethyl-1H-pyrazole

Catalytic enantioselective alpha-fluorination reactions of carbonyl compounds are among the most powerful and efficient synthetic methods for constructing optically active alpha-fluorinated carbonyl compounds. Nevertheless, alpha-fluorination of alpha-nonbranched carboxylic acid derivatives is still a big challenge because of relatively high pK(a)values of their alpha-hydrogen atoms and difficulty of subsequent synthetic transformation without epimerization. Herein we show that chiral copper(II) complexes of 3-(2-naphthyl)-l-alanine-derived amides are highly effective catalysts for the enantio- and site-selective alpha-fluorination ofN-(alpha-arylacetyl) andN-(alpha-alkylacetyl) 3,5-dimethylpyrazoles. The substrate scope of the transformation is very broad (25 examples including a quaternary alpha-fluorinated alpha-amino acid derivative). alpha-Fluorinated products were converted into the corresponding esters, secondary amides, tertiary amides, ketones, and alcohols with almost no epimerization in high yield.

Recommanded Product: 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Ishihara, K; Nishimura, K; Yamakawa, K or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Product Details of 67-51-6. Authors Yuan, Y; Xu, RJ; Zhao, HK in ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD published article about in [Yuan, Yang; Zhao, Hongkun] Yangzhou Univ, Coll Chem & Chem Engn, Yangzhou 225002, Jiangsu, Peoples R China; [Xu, Renjie] Yangzhou Univ, Guangling Coll, Yangzhou 225009, Jiangsu, Peoples R China in 2019.0, Cited 1.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

Errors were discovered regarding the published equation coefficients of Yao and co-workers (2017) for mathematically describing the solubility of 3,5-dimethylpyrazole in nine organic solvents using the NRTL model. Larger differences were found between our back-calculated data and those reported in the authors’ published paper. The equation parameters were re-regressed based on the reported solubility data. (C) 2018 Elsevier Ltd.

Product Details of 67-51-6. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Yuan, Y; Xu, RJ; Zhao, HK or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Authors Basal, NK; Sonawane, RB; Jagtap, SV in ACADEMIC PRESS INC ELSEVIER SCIENCE published article about NATIONAL-CANCER-INSTITUTE; TYROSINE KINASE; DRUG DISCOVERY; HYBRID in [Basal, Nishant K.; Sonawane, Rahul B.; Jagtap, Sangeeta, V] Savitribai Phule Pune Univ, Baburaoji Gholap Coll, Dept Chem, Pune 411017, Maharashtra, India in 2020.0, Cited 26.0. HPLC of Formula: C5H8N2. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

A new series of 2,4-dimethyl-1H-pyrrole-3-carboxamide derivatives bearing benzimidazole moiety was synthesized through a molecular hybridization approach and evaluated for in vitro anticancer activity by NCI-60 on leukemia, melanoma, lung, colon, CNS, ovarian, renal, prostate and breast cancer cell lines at a single dose (10 mu M). Among all the synthesized conjugates, some derivatives showed more or less good activity even at such a small dose, while, compound 5-(1H-benzo[d]imidazol-2-yl) N (1-cyclohexylethyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (80 displayed significant antiproliferative activity specifically against MDA-MB human cancer cell lines. Compound 8f showed promising activity against MDA-MB-435 cell line of melanoma (Growth inhibition: 62.46%) and MDA-MB-468 cell line of breast (Growth inhibition: 40.24%). Computational ADME study qualified its significant physicochemical, pharmacokinetic and drug-likeness properties with good predicted oral bioavailability. Thus this new hybrid molecules would be useful for further anticancer drug development.

HPLC of Formula: C5H8N2. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Basal, NK; Sonawane, RB; Jagtap, SV or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Kulakova, AN; Sedykh, EE; Levitsky, MM; Dorovatovskii, PV; Khrustalev, VN; Shul’pina, LS; Shubina, ES; Kozlov, YN; Ikonnikov, NS; Bilyachenko, AN; Shul’pin, GB in [Kulakova, A. N.; Levitsky, M. M.; Shul’pina, L. S.; Shubina, E. S.; Ikonnikov, N. S.; Bilyachenko, A. N.] Russian Acad Sci, Nesmeyanov Inst Organoelement Cpds, Vavilova Str 28, Moscow 119991, Russia; [Kulakova, A. N.; Khrustalev, V. N.; Bilyachenko, A. N.; Shul’pin, G. B.] Peoples Friendship Univ Russia, Miklukho Maklay Str 6, Moscow 117198, Russia; [Sedykh, E. E.] Moscow South Eastern Sch, Zelenodolskaya Str 32-6, Moscow 109457, Russia; [Dorovatovskii, P. V.] Kurchatov Inst, Natl Res Ctr, Akad Kurchatova Pl 1, Moscow, Russia; [Kozlov, Y. N.; Shul’pin, G. B.] Russian Acad Sci, NN Semenov Inst Chem Phys, Ul Kosygina,Dom 4, Moscow 119991, Russia; [Kozlov, Y. N.; Shul’pin, G. B.] Plekhanov Russian Univ Econ, Stremyannyi Pereulok,Dom 36, Moscow 117997, Russia published The first tris-heteroleptic copper cage, ligated by germsesquioxanes, 2,2 ‘-bipyridines and 3,5-dimethylpyrazolates. Synthesis, structure and unique catalytic activity in oxidation of alkanes and alcohols with peroxides in 2019.0, Cited 92.0. Formula: C5H8N2. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

Self-assembly reaction of copper(II) ions and triple set of ligands (phenylgermaniumsesquioxane, 2,2′-bipyridine, 3,5-dimethylpyrazolate) results in the formation of the first example of tris-heteroleptic copper cage product (PhGeO2)(10)Cu-6(2,2′-bipy)(2)(3,5-Me(2)Pz)(2) (1). The ligation styles of complex’ components are different and includes (i) O-coordination from two cyclic pentamembered germsesquioxanes, (ii) N-coordination from two deprotonated 3,5-dimethylpyrazoles, (iii) N-ligation from two 2,2′-bipyridines. These features as well as other details of structure of 1 were established by X-day diffraction study. Analysis of the regioselectivity parameters found for the oxidation of linear and branched alkanes led to a conclusion that the reaction mechanism includes the formation of HO center dot radicals. However, the kinetic peculiarities of the cyclohexane oxidation with H2O2 in acetonitrile allowed to assume that the oxidation proceeds predominantly in a cavity generated inside of the tris-heteroleptic copper cage but not in the solution volume. (C) 2019 Elsevier B.V. All rights reserved.

Formula: C5H8N2. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Kulakova, AN; Sedykh, EE; Levitsky, MM; Dorovatovskii, PV; Khrustalev, VN; Shul’pina, LS; Shubina, ES; Kozlov, YN; Ikonnikov, NS; Bilyachenko, AN; Shul’pin, GB or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

An article Energetically significant nitrile center dot center dot center dot nitrile and unconventional C-H center dot center dot center dot pi(nitrile) interactions in pyridine based Ni(II) and Zn(II) coordination compounds: Antiproliferative evaluation and theoretical studies WOS:000587468000089 published article about ANION-PI INTERACTIONS; X-RAY-STRUCTURE; CRYSTAL-STRUCTURE; SUPRAMOLECULAR ASSOCIATION; METAL-COMPLEXES; PYRIDINE-2,6-DICARBOXYLIC ACID; STRUCTURAL FEATURES; HOLE INTERACTION; HYDROGEN-BOND; CU(II) in [Das, Amal; Sharma, Pranay; Bhattacharyy, Manjit K.] Cotton Univ, Dept Chem, Gauhati 781001, Assam, India; [Frontera, Antonio; Barcelo-Oliver, Miquel] Univ Ies Illes Balears, Dept Quim, Crta Valldemossa Km 7-7, Palma De Mallorca 07122, Baleares, Spain; [Verma, Akalesh K.] Cotton Univ, Dept Zool, Cell & Biochem Technol Lab, Gauhati 781001, Assam, India; [Hussain, Sahid] Indian Inst Technol Patna, Dept Chem, Patna 801103, Bihar, India in 2021.0, Cited 128.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. Product Details of 67-51-6

Two new coordination compounds viz. [Ni(2,6-PDC)(Hdmpz)(H2O)(2)]center dot H2O (1) and [Zn(3-CNpy)(2)Cl-2] (2) (2,6-PDC = 2,6-pyridinedicarboxylate, Hdmpz = 3,5-dimethylpyrazole, 3-CNpy = 3-cyanopyridine) have been synthesized and characterized using elemental analysis, thermogravimetric analysis, electronic, infrared spectroscopy and single crystal X-ray diffraction techniques. Crystal structure analyses reveal the presence of supramolecular assemblies involving interesting dimers with unconventional contacts in the compounds. DFT (Density Functional Theory) calculations on the supramolecular dimers in the crystal structure of 1 reveal that the sum of contributions of anion-pi, pi-pi and other long range interactions due to the approximation of the bulk monomers is energetically significant. Molecular Electrostatic Potential (MEP) surface and Quantum Theory of Atoms in Molecules (QTAIM) analyses on the interesting supramolecular dimers of the crystal structures of 2 reveal the presence of unconventional anion center dot center dot center dot pi contacts involving coordinated chlorido ligands and C-H center dot center dot center dot pi(nitrile) interactions involving the pi-system of the nitrile moiety of 3-cyanopyridine. Remarkably, Atoms in Molecules analysis also confirms the existence of energetically significant unconventional anti-parallel nitrile center dot center dot center dot nitrile interaction in the crystal structure of 2. Cell cytotoxicity of the compounds performed in Dalton’s lymphoma (DL) malignant cancer cell line showed effective potency with negligible cytotoxicity in normal cells (similar to 12%). It is interesting that compound 1has excellent cytotoxic potency with IC50 closer to cisplatin and can bind different biological targets with similar signalling pathways. Structure activity relationship (SAR) analyses of 1 and 2 based on pharmacophore modelling reveal that the molecular features associated with the structures of the compounds play important role in the biological activities. (C) 2020 Elsevier B.V. All rights reserved.

Product Details of 67-51-6. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Das, A; Sharma, P; Frontera, A; Verma, AK; Barcelo-Oliver, M; Hussain, S; Bhattacharyy, MK or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics