Month: February 2022

Recently I am researching about DRUG DISCOVERY; CARDIOVASCULAR SAFETY; BIOLOGICAL-ACTIVITIES; LIBRARIES; BIOAVAILABILITY; COMBINATORIAL; PREDICTION, Saw an article supported by the Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior-Brasil (CAPES)Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES) [001]; FAP-UNIVALI. COA of Formula: C5H8N2. Published in SPRINGER BIRKHAUSER in NEW YORK ,Authors: Macarini, AF; Sobrinho, TUC; Rizzi, GW; Correa, R. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole

In the process of research and development of new drugs, in silico analyzes are widely used. They address the pharmacokinetics of the molecules in study and can predict the binding mode and affinity, using a docking software. This approach can optimize the development of new drugs, reducing costs, time, and resources. In this study, a library of 300 pyrazole-chalcone derivatives were designed, the in silico ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties were evaluated, and a structure-based virtual screening was performed using AutoDock Vina. The docking results exhibited that the derivatives binding mode at the COX-2 active site is similar to celecoxib, the reference drug, and presented similar binding energy. Six compounds were synthetized and tested for in vitro inhibition of the COX-1 and COX-2 isoenzymes and the selectivity index (SI) was calculated. The compound 2a11 showed the best activity for COX-2 (IC50COX-2=0.73M) whereas the control, celecoxib, resulted IC50COX-2=0.88M. All the other compounds synthetized presented better potency for COX-2 inhibition than the control. Compound 2a23 exhibited the higher SI, of 280.17 (IC50COX-1=210.13M/ IC50COX-2=0.75M), while celecoxib was 246.88 (IC50COX-1=217.26M/ IC50COX-2=0.88M). These results corroborate with a possible anti-inflammatory activity and COX-2 selectivity of the new compounds synthetized.

Welcome to talk about 67-51-6, If you have any questions, you can contact Macarini, AF; Sobrinho, TUC; Rizzi, GW; Correa, R or send Email.. COA of Formula: C5H8N2

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

In 2019.0 CRYST GROWTH DES published article about BOND; COMPLEXES in [Verma, Ashish; Tomar, Kapil; Bharadwaj, Parimal K.] Indian Inst Technol Kanpur, Dept Chem, Kanpur 208016, Uttar Pradesh, India in 2019.0, Cited 36.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. Recommanded Product: 67-51-6

A novel bispyrazole-based expanded cryptand was synthesized via Schiff base condensation reaction having an internal cavity of 160 angstrom(3) with a hydrophobic nature. The cryptand features electron-rich multiple pyrazole rings for enhanced weak noncovalent interactions with the guest molecules. The host-guest capabilities of the cryptand were investigated for encapsulation of the most inactive halogen bond donor molecules (having small sigma-hole size), namely, CH2Cl2, CHCl3, CCl4, C2HCl3, C2H4Cl2, and C2H4Br2. Analysis of crystal structures clearly revealed that halogen bonding (C-Cl/Br center dot center dot center dot pi (pyrazole)) and hydrogen bonding (C-H center dot center dot center dot pi(pyrazole)) interactions played a key role in stabilizing the halogenated guests inside the hydrophobic cavity of cryptand. At the same time, the cage is efficiently able to exclude hydrophilic solvent molecules, like, water and methanol, suggesting the hydrophobic nature of the cavity. Due to the comparably large sigma-hole in C2H4Br2, it showed the strongest halogen bonding interaction with the host cryptand, while weakest interaction was found for the CH2Cl2 guest which has the smallest size sigma-hole. Furthermore, the cryptand is able to adjust its central cavity according to the size of the guest. The biggest cavity size was found for the C2H4Br2 guest, while smallest size was found for the CH2Cl2 guest molecule. This study sheds more light on the interaction of halogenated solvents via halogen and hydrogen bonding, which is critical in understanding and controlling chemical reactions where solvent effects play an important role.

Welcome to talk about 67-51-6, If you have any questions, you can contact Verma, A; Tomar, K; Bharadwaj, PK or send Email.. Recommanded Product: 67-51-6

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

An article Pd(ii)-Catalyzed alkyne annulation through allylic isomerization: synthesis of spiro-cyclopentadiene pyrazolones WOS:000653779300001 published article about PHOTOPHYSICAL PROPERTIES; ACTIVATION; FUNCTIONALIZATION; MECHANISM in [Changmai, Sumi; Sultana, Sabera; Gogoi, Sanjib] North East Inst Sci & Technol, CSIR, Chem Sci & Technol Div, Appl Organ Chem, Jorhat 785006, Assam, India; [Changmai, Sumi; Sultana, Sabera; Gogoi, Sanjib] AcSIR, Ghaziabad 201002, India; [Sarma, Bipul] Tezpur Univ, Dept Chem Sci, Tezpur 784028, Assam, India in 2021, Cited 30. The Name is 3-Methyl-1-p-tolyl-5-pyrazolone. Through research, I have a further understanding and discovery of 86-92-0. Formula: C11H12N2O

The Pd(ii)-catalyzed activation of Csp(2)-H bond and double alkyne annulation which proceeds via allylic isomerization is reported for the first time. This reaction of antipyrines with alkynes provides an efficient synthetic route for the biologically important spiro-cyclopentadiene pyrazolones. In the presence of Lawesson’s reagent, this Pd(ii)-catalyzed annulation reaction affords another spiro-cyclopentadiene pyrazolone which displays very good fluorescence properties.

Formula: C11H12N2O. Welcome to talk about 86-92-0, If you have any questions, you can contact Changmai, S; Sultana, S; Sarma, B; Gogoi, S or send Email.

Reference:
Article; Zhang, Yong; Nie, Long-Jun; Luo, Liang; Mao, Jia-Xin; Liu, Jin-Xiang; Xu, Guo-Hai; Chen, Deliang; Luo, Hai-Qing; Tetrahedron; vol. 76; 7; (2020);,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

I found the field of Chemistry very interesting. Saw the article Iridium(III)-Catalyzed Tandem Annulation Synthesis of Pyrazolo[1,2-alpha]cinnolines from Pyrazolones and Sulfoxonium Ylides published in 2019. Quality Control of 3-Methyl-1-p-tolyl-5-pyrazolone, Reprint Addresses Dong, L (corresponding author), Sichuan Univ, West China Sch Pharm, Educ Minist, Key Lab Drug Targeting & Drug Delivery Syst, Chengdu 610041, Sichuan, Peoples R China.. The CAS is 86-92-0. Through research, I have a further understanding and discovery of 3-Methyl-1-p-tolyl-5-pyrazolone

A highly efficient iridium-catalyzed cascade annulation of pyrazolones and sulfoxonium ylides to access various pyrazolo[1,2-alpha]cinnoline derivatives has been achieved. This novel approach expanded the application scope of coupling partners to ylides. The control experiments were performed to give insight into the mechanism of this reaction.

Bye, fridends, I hope you can learn more about C11H12N2O, If you have any questions, you can browse other blog as well. See you lster.. Quality Control of 3-Methyl-1-p-tolyl-5-pyrazolone

Reference:
Article; Zhang, Yong; Nie, Long-Jun; Luo, Liang; Mao, Jia-Xin; Liu, Jin-Xiang; Xu, Guo-Hai; Chen, Deliang; Luo, Hai-Qing; Tetrahedron; vol. 76; 7; (2020);,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Computed Properties of C5H8N2. I found the field of Biochemistry & Molecular Biology; Chemistry very interesting. Saw the article Potential 2,4-dimethyl-1H-pyrrole-3-carboxamide bearing benzimidazole template: Design, synthesis, in vitro anticancer and in silico ADME study published in 2020.0, Reprint Addresses Jagtap, SV (corresponding author), Savitribai Phule Pune Univ, Baburaoji Gholap Coll, Dept Chem, Pune 411017, Maharashtra, India.. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole.

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.

Computed Properties of 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

Authors Vafaee, A; Davoodnia, A; Nakhaei, A; Yadegarian, S; Nejatianfar, M in MAIK NAUKA/INTERPERIODICA/SPRINGER published article about in [Vafaee, A.; Davoodnia, A.] Islamic Azad Univ, Dept Chem, Mashhad Branch, Mashhad 9175687119, Razavi Khorasan, Iran; [Davoodnia, A.; Nakhaei, A.] Islamic Azad Univ, Young Researchers & Elite Club, Mashhad Branch, Mashhad 9175687119, Razavi Khorasan, Iran; [Nejatianfar, M.] Ferdowsi Univ Mashhad, Dept Chem, Fac Sci, Mashhad 9177948974, Razavi Khorasan, Iran in 2021.0, Cited 33.0. Computed Properties of C5H8N2. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

Two novel room-temperature disulfonic acid functionalized ionic liquids derived from 3,5-dimethyl-1H-pyrazole consisting of chloride and trichlorostannate anions, 3,5-dimethyl-1,2-disulfonic acid-1H-pyrazolium chloride and 3,5-dimethyl-1,2-disulfonic acid-1H-pyrazolium trichlorostannate, have been synthesized, characterized and evaluated for their catalytic efficiency in the synthesis of 1H-pyrazolo[1,2-b]phthalazine-5,10-diones by the one-pot, three-components reaction of phthalhydrazide, an aromatic aldehyde and malononitrile or ethyl cyanoacetate under solvent-free conditions. The results have demonstrated high catalytic activity of these novel ionic liquids containing acidic SO3H groups in producing high yields of the desired products in short reaction time. The ionic liquids can be used at least four times without any noticeable decrease in catalytic activity.

Computed Properties of C5H8N2. Welcome to talk about 67-51-6, If you have any questions, you can contact Vafaee, A; Davoodnia, A; Nakhaei, A; Yadegarian, S; Nejatianfar, M or send Email.

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

In 2020.0 RUSS J ORG CHEM+ published article about ACID; CATALYST; OXIDE in [Hassani, H.; Jahani, Z.] Payame Noor Univ, Dept Chem, Tehran 193954697, Iran in 2020.0, Cited 32.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. Quality Control of 3,5-Dimethyl-1H-pyrazole

Pyrazoles and hydrazones, as two significant kinds of potentially bioactive compounds, were produced with good to excellent yields by condensation of beta-dicarbonyl compounds with hydrazines in aqueous media in the presence of Fe3O4@CeO2 nanocomposite as an efficient heterogeneous nanocatalyst. The magnetic nanocatalyst can readily be separated using an external magnet and reused at least six times without significant loss in activity. The products were characterized by IR and H-1 and(13)C NMR spectra.

Quality Control of 3,5-Dimethyl-1H-pyrazole. Welcome to talk about 67-51-6, If you have any questions, you can contact Hassani, H; Jahani, Z or send Email.

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

Application In Synthesis of 3,5-Dimethyl-1H-pyrazole. In 2020.0 ACTA CRYSTALLOGR E published article about COMPLEXES; CU(II); WELL in [Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Naumova, Dina D.; Partsevska, Sofiia, V] Taras Shevchenko Natl Univ Kyiv, Dept Chem, Volodymyrska Str 64-13, UA-01601 Kiev, Ukraine; [Shova, Sergiu] Poni Petru Inst Macromol Chem, Voda 41A, Iasi 700487, Romania; [Safarmamadov, Safarmamad M.] Tajik Natl Univ, Dept Chem, 17 Rudaki Ave, Dushanbe 734025, Tajikistan in 2020.0, Cited 22.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

In the title bicyclic trinuclear pyrazolate aminoalcohol complex, [Cu-3(C5H7N2)(2)-(C6H14NO3)(2)]Br-2 center dot 1.5H(2)O, the central Cu atom lies on a center of symmetry and is involved in the formation of two five-membered rings. It has a coordination number of 4, is in a distorted tetrahedral environment and is connected by the bridging oxygen atoms of the deprotonated OH groups of different aminoalcohol groups, and by the N atoms of deprotonated dimethylpyrazole ligands. The peripheral Cu atom is in a trigonal-bipyramidal coordination environment formed by the nitrogen atom of the deprotonated bridging dimethylpyrazole unit, the bridging oxygen atom of the deprotonated OH group, two oxygen atoms of the protonated hydroxy groups and the nitrogen atom of triethanolamine. One of the C atoms and the Br- anion were found to be disordered over two positions with occupancy factors of 0.808 (9):0.192 (9) and 0.922 (3):0.078 (3), respectively.

Application In Synthesis of 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Vynohradov, OS; Pavlenko, VA; Naumova, DD; Partsevska, SV; Shova, S; Safarmamadov, SM or concate me.

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

HPLC of Formula: C11H12N2O. Li, L; Luo, PF; Deng, YH; Shao, ZH in [Li, Long; Luo, Pengfei; Deng, Yuhua; Shao, Zhihui] Yunnan Univ, Key Lab Med Chem Nat Resource, State Key Lab Conservat & Utilizat Bioresources Y, Minist Educ,Sch Chem Sci & Technol, Kunming 650091, Yunnan, Peoples R China published Regioselectivity Switch in Palladium-Catalyzed Allenylic Cycloadditions of Allenic Esters: [4+1] or [4+3] Cycloaddition/Cross-Coupling in 2019, Cited 65. The Name is 3-Methyl-1-p-tolyl-5-pyrazolone. Through research, I have a further understanding and discovery of 86-92-0.

The first Pd-catalyzed asymmetric allenylic [4+1] cycloaddition was successfully developed. Alternatively, tuning the Pd catalyst switched the reactivity toward an unprecedented [4+3] cycloaddition/cross-coupling. Ligands play a vital role in controlling the reaction pathway, allowing highly selective access to different products from identical substrates. Biological evaluation of the obtained compounds led to the discovery of new antitumor targets. A possible mechanism is proposed, suggesting two interesting catalytic cycles for the cycloaddition with palladium-butadienyls. This study also demonstrated the potential and utility of allenic esters as 1,4-biselectrophiles and C-4 synthons for participating in cycloaddition reactions.

HPLC of Formula: C11H12N2O. Welcome to talk about 86-92-0, If you have any questions, you can contact Li, L; Luo, PF; Deng, YH; Shao, ZH or send Email.

Reference:
Article; Zhang, Yong; Nie, Long-Jun; Luo, Liang; Mao, Jia-Xin; Liu, Jin-Xiang; Xu, Guo-Hai; Chen, Deliang; Luo, Hai-Qing; Tetrahedron; vol. 76; 7; (2020);,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Category: pyrazoles-derivatives. Authors Milne, IA; Graham, JMR in CAMBRIDGE UNIV PRESS published article about in [Milne, I. A.] Univ Western Australia, Oceans Grad Sch, Crawley 6009, Australia; [Graham, J. M. R.] Imperial Coll London, Dept Aeronaut, London SW7 2AZ, England in 2019, Cited 13. The Name is 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid. Through research, I have a further understanding and discovery of 83-10-3

The changes in spectra and intensities of the streamwise component of turbulent velocity are calculated in the inflow of a turbine rotor. The flow is initially calculated in the limit when the turbulence is of small scale compared with the rotor diameter. Rapid distortion theory (RDT), Batchelor & Proudman (Q. J. Mech. Appl. Maths, vol. 7 (1), 1954, pp. 83-103) (BP), for small-scale turbulence is combined with the effect of the fluctuating potential flow field on the turbulence caused by the direct interaction of the incident turbulence with the rotor as a sheet of resistance. A second computation is then carried out for turbulence of larger length scale. The results of the calculations are compared with velocity measurements in the inflow of both a commercial wind turbine and a tidal turbine rotor.

Category: pyrazoles-derivatives. Welcome to talk about 83-10-3, If you have any questions, you can contact Milne, IA; Graham, JMR or send Email.

Reference:
Patent; Shanghai Pharmaceutical Industry Institute; China Pharmaceutical Industry Zongyuan; Li Jianqi; Huang Daowei; Wang Wenya; Zhang Zhiguo; Jiang Ling; (45 pag.)CN107286140; (2017); A;,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics