Tag: M.W=0-100

Recommanded Product: 67-51-6. In 2020.0 J MOL STRUCT published article about DISAZO DYES; SPECTROSCOPIC PROPERTIES; ABSORPTION; DESIGN; DRUG; 1,2,3-TRIAZOLE; APPROXIMATION; ANTIFUNGAL; MOIETIES; PYRAZOLE in [Gokalp, Merve; Dede, Bulent; Tilki, Tahir] Suleyman Demirel Univ, Fac Sci & Arts, Dept Chem, TR-32260 Isparta, Turkey; [Atay, Cigdem Karabacak] Mehmet Akif Ersoy Univ, Fac Educ, Dept Basic Educ, TR-15030 Burdur, Turkey in 2020.0, Cited 40.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

In this study, three triazole based azo molecules [3-amino-4-[1H-1,2,4-triazole-3-yldiazenyl]-1H-pyrazole-5-ol (1), 3-[(3,5-dimethyl-1H-pyrazole-4-yl)diazenyl]-1H-1,2,4-triazole (2) and 4-[1H-1,2,4triazole-3yldiazenyl]benzene-1,3-diol (3)] were, synthesized and characterized by using 1H NMR, FTIR, UV-vis and mass spectra. The molecular structure, vibrational spectroscopic data, electronic transition absorption wavelengths, HOMOs and LUMOs analyses, molecular electrostatic potential (MEP) and potential energy surface (PES) diagrams were calculated by using DFT/B3LYP method with 6-311G(d,p) basis set. NMR chemical shift calculations were performed by using the gauge-invariant atomic orbital (GIAO) method. The spectroscopic results obtained from quantum chemical calculations of the 1, 2 and 3 molecules were in good agreement with the experimental data. Antibacterial activities of the 1, 2 and 3 were investigated against four different bacterial cultures. Although 1 molecule did not show very good antibacterial activity, 2 and 3 showed good activity against Staphylococcus aureus at a MIC of 250 and 62.5 mg/mL, respectively. Druglikeness and some of the pharmacokinetic properties of the 1, 2 and 3 were also examined. In addition, molecular docking studies were performed to investigate the antibacterial properties of synthesized compounds by in silico method. For this purpose, beta-ketoacyl-acyl carrier protein (ACP) synthase III (KAS III) and lipoteichoic acid synthase (LtaS) inhibitory properties of 1, 2 and 3 molecules were investigated. Although all of the synthesized compounds showed antibacterial properties according to the results of the molecular docking studies, the best results were obtained by the compound 3 which interacts with both KAS III and LtaS with binding energy of -7.17 and -7.53 kcal/mol, respectively. (C) 2020 Elsevier B.V. All rights reserved.

Recommanded Product: 67-51-6. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Gokalp, M; Dede, B; Tilki, T; Atay, CK or concate me.

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

Name: 3,5-Dimethyl-1H-pyrazole. In 2020.0 RUSS CHEM B+ published article about MOLECULAR-STRUCTURE; SPECTROSCOPIC PROPERTIES; POLYCARBOXYLIC ACIDS; ANTIVIRAL ACTIVITY; METAL-COMPLEXES; CRYSTAL; ADAMANTYLAZOLES; CHEMISTRY; PYRAZOLES; POLYMERS in [Pavlov, D., I] Natl Res Tomsk Polytech Univ, 30 Prosp Lenina, Tomsk 634050, Russia; [Sukhikh, T. S.; Potapov, A. S.] Russian Acad Sci, Nikolaev Inst Inorgan Chem, Siberian Branch, 3 Prosp Akad Lavrentieva, Novosibirsk 630090, Russia; [Sukhikh, T. S.] Novosibirsk State Univ, 1 Ul Pirogova, Novosibirsk 630090, Russia in 2020.0, Cited 45.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

Reactions of adamantylazoles with nucleophiles (water, carbon monoxide, acetonitrile) in sulfuric acid were studied. New bifunctional adamantane derivatives containing one heterocyclic substituent and one hydroxyl or acetamide substituent were synthesized. The coordination compounds of copper(II) and zinc(II) with 1-adamantyl-1,2,4-triazole, 4-adamantylpyrazole, and 4-adamantyl-3,5-dimethylpyrazole were synthesized and structurally characterized. These complexes are first examples of coordination compounds of azolyladamantanes.

Name: 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Pavlov, DI; Sukhikh, TS; Potapov, AS or concate me.

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

Name: 3,5-Dimethyl-1H-pyrazole. 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.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Yuan, Y; Xu, RJ; Zhao, HK or concate me.. Name: 3,5-Dimethyl-1H-pyrazole

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

An article Tiara[n]uril: A Glycoluril-Based Macrocyclic Host with Cationic Walls WOS:000464250800008 published article about CUCURBITURIL; GUEST; CHIRALITY; BEHAVIOR in [Chandrakumar, Pradeep Kumar; Dhiman, Rajni; Woodward, Clifford E.; Day, Anthony I.] Univ New South Wales Canberra, Australian Def Force Acad, Sch PEMS, Chem, Canberra, ACT 2600, Australia; [Iranmanesh, Hasti; Beves, Jonathon E.] UNSW Sydney, Sch Chem, Sydney, NSW 2052, Australia in 2019.0, Cited 39.0. 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

The synthesis of new cationic macrocyclic host molecules is described. These macrocycles are comprised of glycoluril oligomers linked to two pyrazolium groups, which form part of a cationic wall facing into their cavities. A number of derivatives have been prepared with an objective to increasing the cavity size, and each new product has been fully characterized. Preliminary investigations of pK(a)s of Me(10)Tu-[3](2+) and an interaction of L-glutamine indicate a potential for binding anionic molecules that also carry H-bond donor groups.

Recommanded Product: 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Chandrakumar, PK; Dhiman, R; Woodward, CE; Iranmanesh, H; Beves, JE; Day, AI or concate me.

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

Le, T; Courant, T; Merad, J; Allain, C; Audebert, P; Masson, G in [Courant, Thibaut; Merad, Jeremy; Masson, Geraldine] Univ Paris Saclay, Univ Paris Sud, CNRS UPR 2301, Inst Chim Subst Nat, 1 Ave Terrasse, F-91198 Gif Sur Yvette, France; [Le, Tuan; Allain, Clemente; Audebert, Pierre] Univ Paris Saclay, CNRS, ENS Paris Saclay, PPSM, F-94235 Cachan, France published s-Tetrazine Dyes: A Facile Generation of Photoredox Organocatalysts for Routine Oxidations in 2019.0, Cited 50.0. Application In Synthesis of 3,5-Dimethyl-1H-pyrazole. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

A series of organic dyes derived from s-tetrazine have been synthesized, and their photophysical and electrochemical properties are systematically investigated. Testing these compounds as photoredox catalysts in a model oxidative C-S bond cleavage of thioethers has led us to identify new classes of active s-tetrazines. Moreover, some of them can be formed in situ from commercially available 3,6-dichlorotetrazine, making this photocatalyzed C-S bond functionalization simple and highly practical.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Le, T; Courant, T; Merad, J; Allain, C; Audebert, P; Masson, G or concate me.. Application In Synthesis of 3,5-Dimethyl-1H-pyrazole

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

An article Hydroxyl-functionalized pyrazolium ionic liquids to catalyze chemical fixation of CO2: Further benign reaction condition for the single-component catalyst WOS:000494052700005 published article about EFFICIENT CATALYST; CARBON-DIOXIDE; CYCLIC CARBONATES; HIGHLY EFFICIENT; SOLVENT; CYCLOADDITION; CONVERSION; ENERGY; APPROXIMATION; ACTIVATION in [Wang, Tengfei; Ma, Yuan; Jiang, Jiamin; Zhu, Xinrui; Fan, Baowan; Ren, Tiegang; Wang, Li; Zhang, Jinglai] Inst Upconvers Nanoscale Mat, Kaifeng, Henan, Peoples R China; [Wang, Tengfei; Ma, Yuan; Jiang, Jiamin; Zhu, Xinrui; Fan, Baowan; Ren, Tiegang; Wang, Li; Zhang, Jinglai] Henan Prov Engn Res Ctr Green Anticorros Technol, Kaifeng, Henan, Peoples R China; [Wang, Tengfei; Ma, Yuan; Jiang, Jiamin; Zhu, Xinrui; Fan, Baowan; Ren, Tiegang; Wang, Li; Zhang, Jinglai] Henan Univ, Coll Chem & Chem Engn, Kaifeng 475004, Henan, Peoples R China; [Yu, Guanyao; Li, Ningning; Wang, Shasha] Henan Univ, Minsheng Coll, Kaifeng 475004, Henan, Peoples R China in 2019.0, Cited 45.0. 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

Lots of ionic liquids have been utilized as catalyst for the coupling reaction of carbon dioxide with epoxides, however, catalyzed conditions could not be regarded as benign, especially when no co-catalyst and/or organic solvent is involved. A series of hydroxyl-functionalized pyrazolium ionic liquids are firstly synthesized. They would efficiently catalyze the cycloaddition of carbon dioxide and propylene oxide under 110 degrees C and 1.0 MPa carbon dioxide initial pressure with 1 mol% catalyst during 4 h resulting in the product yield of 91.2%. The catalytic condition is greatly refined as compared with other single-component ionic liquids with simple anion. Simultaneously, the effect of reaction temperature, amount of catalyst, carbon dioxide initial pressure, and reaction time is explored along with the reusability of catalyst For most of epoxides with terminal substituted group, HEEPzBr presents acceptable catalytic activity. The difference of HEMPzBr, HEEPzBr, and HPEPzBr is also explored by the density functional theory calculations. (C) 2019 Elsevier B.V. All rights reserved.

Recommanded Product: 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Wang, TF; Ma, Y; Jiang, JM; Zhu, XR; Fan, BW; Yu, GY; Li, NN; Wang, SS; Ren, TG; Wang, L; Zhang, JL or concate me.

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

Formula: C5H8N2. In 2019 CRYST GROWTH DES published article about TRINUCLEAR COPPER(II) COMPLEX; RING-OPENING POLYMERIZATION; CRYSTAL-STRUCTURE; NONCOVALENT INTERACTIONS; THERMOCHEMICAL KINETICS; DENSITY FUNCTIONALS; X-RAY; COORDINATION; 3,5-DIMETHYLPYRAZOLE; ACID in [Torres, Juan F.; Macias, Mario A.; Hurtado, John J.] Univ Los Andes, Dept Chem, Carrera 1 18A-12, Bogota 111711, Colombia; [Franco-Ulloa, Sebastian; Pietro Miscione, Gian] Univ Los Andes, Chem Dept, COBO Computat Bioorgan Chem Bogota, Cra 1 18A-12, Bogota 111711, Colombia; [Cobo, Justo] Univ Jaen, Dept Inorgan & Organ Chem, Jaen 23071, Spain in 2019, Cited 53. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

The synthesis and characterization of air-stable Cu(II) and Zn(II) complexes with 3,5-dinitrobenzoate (DNB) and 3,5-dimethylpyrazole (L1) or bis(3,5-dimethylpyrazol-1-yl)methane (L2) are described. Three of these complexes exhibit a monomeric structure, while the Cu(II) complex with L2 is a trinuclear complex. Density functional theory calculations were performed to understand the unexpected formation of the three-centered compound. In agreement with the X-ray crystal structure, the N-H moiety present in LI was identified as possible driving force to obtain monomeric structures, while L2, without it, can favor the trinuclear complex formation. Thermal studies were carried for the complexes, and it was observed that the presence of the azole ligand allows the decomposition of the complexes at lower temperatures due to the presence of acidic protons, being especially important for L1.

Formula: C5H8N2. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Torres, JF; Macias, MA; Franco-Ulloa, S; Miscione, GP; Cobo, J; Hurtado, JJ or concate me.

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

I found the field of Biochemistry & Molecular Biology; Biophysics; Chemistry; Computer Science very interesting. Saw the article Selected arylsulphonyl pyrazole derivatives as potential Chk1 kinase ligands-computational investigations published in 2020.0. SDS of cas: 67-51-6, Reprint Addresses Czaja, K (corresponding author), Poznan Univ Med Sci, Fac Pharm, Chair & Dept Organ Chem, Ul Grunwaldzka 6, PL-60780 Poznan, Poland.. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole

Protein kinases control diversity of biochemical processes in human organism. Checkpoint 1 kinase (Chk1) is an important element of the checkpoint signalling pathways and is responsible for DNA damage repair. Hence, this kinase plays an essential role in cancer cells survival and has become an important target for anticancer agents. Our previous investigations showed that some arylsulphonyl indazole derivatives displayed anticancer effect in vitro. In the present study, in order to verify possibility of interactions of pyrazole and indazole derivatives with Chk1, we focused on the docking of selected tosyl derivatives of indazole and condensed pyrazole 1-7 to the Chk1 pocket, analysis of interactions involving optimized ligand-protein system using DFT formalism, and estimation of the interaction enthalpy of the ligand-protein complex by applying the PM7 method. The estimation of binding affinity seems to indicate that the indazole 5-substituted with 3,5-dimethylpyrazole 4 and condensed pyrazoloquinoline derivative 7 fit the best to the Chk1-binding pocket. The values of the energy of interaction, i.e. the enthalpy change (Delta H-int), were between – 85.06 and – 124.04 kcal mol(-1) for the optimized ligand-Chk1 complexes. The relaxation of the ligands within the complexes azole-protein as well as the distribution of hydrogen contacts between the ligands and kinase pocket amino acids was also analysed using molecular dynamics as a supporting method. Presentation of methods used to describe the interactions between arylsulphonyl pyrazole derivatives and Chk1 kinase

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Czaja, K; Kujawski, J; Kame, K; Bernard, MK or concate me.. SDS of cas: 67-51-6

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

In 2019.0 J RHEUMATOL published article about POSTTRAUMATIC-STRESS-DISORDER; POPULATION-BASED SAMPLE; EMOTIONAL ABUSE; ELEVATED RISK; LIFE; ADVERSITY; HEALTH; MALTREATMENT; VICTIMIZATION; RECOLLECTIONS in [Feldman, Candace H.; Malspeis, Susan; Leatherwood, Cianna; Costenbader, Karen H.] Brigham & Womens Hosp, Dept Med, Div Rheumatol Immunol & Allergy, 75 Francis St, Boston, MA 02115 USA; [Feldman, Candace H.; Malspeis, Susan; Leatherwood, Cianna; Costenbader, Karen H.] Harvard Med Sch, Boston, MA 02115 USA; [Kubzansky, Laura; Roberts, Andrea L.] Harvard TH Chan Sch Publ Hlth, Boston, MA USA in 2019.0, Cited 49.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. Product Details of 67-51-6

Objective. Exposure to severe stressors may alter immune function and augment inflammation and cytokine release, increasing risk of autoimmune disease. We examined whether childhood abuse was associated with a heightened risk of incident systemic lupus erythematosus (SLE). Methods. Data were drawn from the Nurses’ Health Study II, a cohort of US female nurses enrolled in 1989, followed with biennial questionnaires. We measured childhood physical and emotional abuse with the Physical and Emotional Abuse Subscale of the Childhood Trauma Questionnaire and sexual abuse with the Sexual Maltreatment Scale of the Parent-Child Conflict Tactics Scale, both administered in 2001. We identified incident SLE (>= 4 American College of Rheumatology 1997 classification criteria) through 2015. We used multivariable Cox regression models to evaluate the association between childhood abuse and SLE, accounting for potential confounders (e.g., parental education, occupation, home ownership) and mediators [e.g., depression, posttraumatic stress disorder (PTSD)]. Results. Among 67,516 women, there were 94 cases of incident SLE. In adjusted models, exposure to the highest versus lowest physical and emotional abuse was associated with 2.57 times greater risk of SLE (95% CI 1.30-5.12). We found that 17% (p < 0.0001) of SLE risk associated with abuse could be explained by depression and 23% (p < 0.0001) by PTSD. We did not observe a statistically significant association with sexual abuse (HR 0.84, 95% CI 0.40-1.77, highest vs lowest exposure). Conclusion. We observed significantly increased risk of SLE among women who had experienced childhood physical and emotional abuse compared with women who had not. Exposure to childhood adversity may contribute to development of SLE. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Feldman, CH; Malspeis, S; Leatherwood, C; Kubzansky, L; Costenbader, KH; Roberts, AL or concate me.. Product Details of 67-51-6

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

Recently I am researching about SECONDARY BUILDING UNITS; X-RAY STRUCTURES; CRYSTAL-STRUCTURE; PADDLE-WHEEL; MAGNETIC-PROPERTIES; SPECTRAL CHARACTERIZATION; COMPLEXES; COPPER(II); 1,10-PHENANTHROLINE; SOLIDS, Saw an article supported by the SERB, New Delhi [SB/S2/JCB-85/2014]. Published in ELSEVIER SCIENCE SA in LAUSANNE ,Authors: Rajakannu, P; Kaleeswaran, D; Banerjee, S; Butcher, RJ; Murugavel, R. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole. Safety of 3,5-Dimethyl-1H-pyrazole

Structural modulation of transition metal carboxylates has been studied by employing different auxiliary ligands in the reactions of metal acetates with substituted benzoic acids. A series of neutral transition metal benzoates [Cu(tbba)(2)(imH)(2)] (1), [Cu(tipba)(2)(2,4,6-collidine)(2)] (2), [Co(tbba)(2) (dmpH)(2)] (3), [Co(tipba)(2)(imH)(2)] (4), [M (tmba)(2)(pymeH)(2)] (M = Cu (5), Co (6) and Zn (7)), [Zn(tmba)(2)(pydmeH(2))] (8), [Cu-2(tmba)(2)(pydmeH(2))(2)] [(tmba)(2)(tmbaH)(2)] (9) and [Zn-2(dmp)(2) (tbba)(2)(dmpH)(2)] (10) have been isolated as products from the reaction between the respective metal acetates and substituted benzoic acids (acids used: 4-tert-butylbenzoic acid (tbbaH), 2,4,6-triisopropylbenzoic acid (tipbaH), 2,4,6-trimethylbenzoic acid (tmbaH)) and N-donor auxiliary ligands (imidazole (imH), 3,5-dimethylpyrazole (dmpH), 2,4,6-collidine, 2-pyridinemethanol (pymeH), and pyridine-2,6-dimethanol (pydmeH(2))). The new complexes have been characterized by both analytical and spectroscopic methods. The molecular structures of 1-10 have further been established by single crystal X-ray diffraction studies. The complexes 1-8 are mononuclear, while compounds 9 and 10 have been found to be dinuclear due to the role of benzoic acid in 9 and pyrazolate anion as bridging ligand in 10. The geometry around the metal ion is square-planar in 1 and 2, tetrahedral in 3, 4 and 10, octahedral in 5-7 and 9 and trigonal-bipyramidal in 8. Complexes with ligands that contain additional functional groups such as > NH and -OH are involved in hydrogen bonding interactions. These weak interactions lead to the formation of 1-D linear polymers or 2-D sheets.

Safety of 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Rajakannu, P; Kaleeswaran, D; Banerjee, S; Butcher, RJ; Murugavel, R or concate me.

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