Category: pyrazoles-derivatives

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: (1,10-Phenanthroline)(trifluoromethyl)copper(I), is researched, Molecular C13H8CuF3N2, CAS is 1300746-79-5, about Copper-Mediated Trifluoromethylation-Allylation of Arynes, the main research direction is aryl triflate trimethylsilyl allylic bromide copper trifluoromethyl trifluoromethylation allylation; allylarene trifluoromethylated preparation.Related Products of 1300746-79-5.

An unprecedented three-component copper-mediated vicinal trifluoromethylation-allylation of arynes is described. A wide range of structurally diverse trifluoromethylated allylarenes I (R = H, 3-Me, 3-t-Bu, etc.; R1 = H, Me, dimethyl; R2 = Me, Ph, Br, etc.; R3 = H, Me; R4 = H, Me) can be quickly assembled in one step. The application of the method has been demonstrated in the expedient synthesis of the CF3-containing analog of the antispasmodic drug papaverine. The new reactivity of the [CuCF3] reagent, which is generated from the inexpensive industrial byproduct fluoroform, is revealed with unique advantages.

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

Formula: C18H14N2Na2O8S2. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: Sodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl)naphthalene-2-sulfonate, is researched, Molecular C18H14N2Na2O8S2, CAS is 25956-17-6, about Food Additives as Inhibitors of Intestinal Drug Transporter OATP2B1. Author is Tikkanen, Alli; Pierrot, Estelle; Deng, Feng; Sanchez, Virginia Barras; Hagstrom, Marja; Koenderink, Jan B.; Kidron, Heidi.

Food additives are compounds that are added to food and beverage to improve the taste, color, preservation, or composition Generally, food additives are considered safe for human use due to safety evaluations conducted by food safety authorities and high safety margins applied to permitted usage levels. However, the interaction potential of food additives with simultaneously administered medication has not received much attention. Even though many food additives are poorly absorbed into systemic circulation, high concentrations could exist in the intestinal lumen, making intestinal drug transporters, such as the uptake transporter organic anion transporting polypeptide 2B1 (OATP2B1), a possible site of food additive-drug interactions. In the present work, we aimed to characterize the interaction of a selection of 25 food additives including colorants, preservatives, and sweeteners with OATP2B1 in vitro. In human embryonic kidney 293 (HEK293) cells transiently overexpressing OATP2B1 or control, uptake of dibromofluorescein was studied with and without 50μM food additive at pH 7.4. As OATP2B1 displays substrate- and pH-dependent transport functions and the intraluminal pH varies along the gastrointestinal tract, we performed the studies also at pH 5.5 using estrone sulfate as an OATP2B1 substrate. Food additives that inhibited OATP2B1-mediated substrate transport by ≥50% were subjected to dose-response studies. Six colorants were identified and validated as OATP2B1 inhibitors at pH 5.5, but only three of these were categorized as inhibitors at pH 7.4. One sweetener was validated as an inhibitor under both assay conditions, whereas none of the preservatives exhibited ≥50% inhibition of OATP2B1-mediated transport. Extrapolation of computed inhibitory constants (Ki values) to estimations of intestinal food additive concentrations implies that selected colorants could inhibit intestinal OATP2B1 also in vivo. These results suggest that food additives, especially colorants, could alter the pharmacokinetics of orally administered OATP2B1 substrate drugs, although further in vivo studies are warranted to understand the overall clin. consequences of the findings.

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

Chemistry, like all the natural sciences, begins with the direct observation of nature— in this case, of matter.67-51-6, Name is 3,5-Dimethyl-1H-pyrazole, SMILES is C1=C(C)[NH]N=C1C, belongs to pyrazoles-derivatives compound. In a document, author is Weingart, Pascal, introduce the new discover, SDS of cas: 67-51-6.

A series of ruthenium(II) complexes bearing tridentate N,N’-diallyl-2,6-di(5-butylpyrazol-3-yl)pyridine ligands was synthesized and characterized. Introduction of substituents in the 4-position of the pyrazole rings tune the electron density at the ruthenium center, which was proved by correlation of the P-31 NMR chemical shifts with the sigma(p) parameters of the Hammett equation. The structural elucidation of a phosphine-free ruthenium(II) complex proves that one of the allyl side-chains undergoes chelating coordination to the ruthenium site to realize a 18 VE center. This compound is the starting point for complexes of the type (N,N,N)Ru(L)(Cl)(2) bearing ligands L other than triphenylphosphine. The ruthenium(II) complexes were investigated for their activity in the transfer hydrogenation with ethanol as the hydrogen source. Here the logarithms of the measured turn-over frequencies (TOF) correlate with the sigma(p) parameters of the Hammett equation in terms of a linear free-energy relationship.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 67-51-6 is helpful to your research. SDS of cas: 67-51-6.

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

Chemistry can be defined as the study of matter and the changes it undergoes. You’ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, molecular formula is , belongs to pyrazoles-derivatives compound. In a document, author is Outahar, Fatima, Recommanded Product: 330792-70-6.

A series of novel spiropyrazoles and spiroisoxazolines was efficiently synthesized. Structural modifications were performed at the C-9 and C-13 positions of 9 alpha- and 9 beta-hydroxyparthenolide, which were isolated from the aerial parts of Anvillea radiata. The structures and stereochemistry of the cycloadducts were fully established by spectroscopic methods including X-ray diffraction data. (C) 2020 Elsevier Ltd. All rights reserved.

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

Chemistry is an experimental science, Safety of 4-Aminoantipyrine, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 83-07-8, Name is 4-Aminoantipyrine, molecular formula is C11H13N3O, belongs to pyrazoles-derivatives compound. In a document, author is Karrouchi, Khalid.

(E)-N’-(2,4-dichlorobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide (E-DPPC) has been synthesized and characterized by FT-IR, H-1-NMR, ESI-MS, and single-crystal X-ray diffraction. The structures and properties of this new pyrazole-3-carbohydrazide derivative were studied in gas phase and aqueous solution by using Functional hybrid B3LYP/6-311++G** calculations in gas phase and in aqueous solution to study. Two stable structures (C1 and C2) with similar energies were found in the PES. C2 evidence a higher dipole moment and a volume contraction in solution attributed to the presence of donors and acceptors H bonds. Besides, the changes in orientation and direction of dipole moment vector in solution are attributed to the hydration of E-DPPC with water molecules. The repulsion existent between the negative MK, Mulliken and NPA charges on the N12 and 015 atoms explain the diminishing of N12-C14-015 angle from 123.77 degrees in gas phase to 123.03 degrees in solution. Nucleophilic sites are visibly observed on the acceptor H bonds groups (N10, 015 and N22 atoms) while on the N18-H21, N12-H13, C11-H23, C2-H3, C17-H20 bonds characteristics electrophilic sites were found, being the N18-H21 bond the most labile donor of H bond with the lowest MEP and bond order values. NBO calculations suggest that C2 is clearly most stable in solution than in gas phase. AIM studies show that C2 is stable in both media due to new H bonds formed. Harmonic force fields in both media were calculated together with the scaled force constants while the 102 vibration normal modes expected for C2 were completely assigned. The comparisons of experimental NMR and UV-visible spectra with the corresponding predicted evidence reasonable correlations. Docking results also displayed that E-DPPC possessed good binding profile against receptor molecule and interacted with core residues of target protein. (C) 2020 Elsevier B.V. All rights reserved.

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 83-07-8, in my other articles. Safety of 4-Aminoantipyrine.

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

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 1453-58-3, Name is 3-Methylpyrazole, molecular formula is C4H6N2. In an article, author is Fu, Qing,once mentioned of 1453-58-3, Safety of 3-Methylpyrazole.

A series of pyrazole derivatives was designed according to prodrug strategy. These compounds were synthesized via eight steps and their structures were confirmed by(1)H NMR spectroscopy and MS. The preliminary herbicidal bioassay results indicated that the title pyrazole ketone compounds exhibited low herbicidal activity against six weeds at 150 g/ha, which is weaker than that of the commercial HPPD herbicide topramezone. The docking results showed that the binding mode of the key intermediate (3-(2-(2-fluorophenoxy)ethoxy)-2-methyl-4-(methylsulfonyl)phenyl)(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)methanone is the same as the reported inhibitor DAS689 in the complex.

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

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 35344-95-7, Name is 1H-Pyrazole-4-carbaldehyde, formurla is C4H4N2O. In a document, author is Wang, Guangcheng, introducing its new discovery. SDS of cas: 35344-95-7.

A new series of pyrazole-naphthalene derivatives (5a-5q) have been synthesized and evaluated for their anticancer activity against human breast cancer cell lines (MCF-7). Most of newly synthesized compounds (except 5i, 5m, and 5p) exhibited potent antiproliferative activity in the range of IC50 = 2.78 +/- 0.24 mu M – 9.13 +/- 0.47 mu M. Among them, compound 5j (IC50 = 2.78 +/- 0.24 mu M), bearing ethoxy at the 4-position of the phenyl ring, was found to be the most active compound in this series of compounds, with five folds more active than the standard drug cisplatin (IC50 = 15.24 +/- 1.27 mu M). In addition, compound 5j and colchicine showed the same ability to inhibit tubulin polymerization with the IC50 values of 4.6 mu M and 6.7 mu M, respectively. Cellular mechanism studies elucidated that compound 5j arrested the cell cycle at G2/M phase and induced apoptosis. Furthermore, molecular docking analysis revealed that compound 5j formed stable interactions in the colchicine-binding site of tubulin.

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

Chemistry, like all the natural sciences, begins with the direct observation of nature— in this case, of matter.67-51-6, Name is 3,5-Dimethyl-1H-pyrazole, SMILES is C1=C(C)[NH]N=C1C, belongs to pyrazoles-derivatives compound. In a document, author is Weingart, Pascal, introduce the new discover, Name: 3,5-Dimethyl-1H-pyrazole.

A series of ruthenium(II) complexes bearing tridentate N,N’-diallyl-2,6-di(5-butylpyrazol-3-yl)pyridine ligands was synthesized and characterized. Introduction of substituents in the 4-position of the pyrazole rings tune the electron density at the ruthenium center, which was proved by correlation of the P-31 NMR chemical shifts with the sigma(p) parameters of the Hammett equation. The structural elucidation of a phosphine-free ruthenium(II) complex proves that one of the allyl side-chains undergoes chelating coordination to the ruthenium site to realize a 18 VE center. This compound is the starting point for complexes of the type (N,N,N)Ru(L)(Cl)(2) bearing ligands L other than triphenylphosphine. The ruthenium(II) complexes were investigated for their activity in the transfer hydrogenation with ethanol as the hydrogen source. Here the logarithms of the measured turn-over frequencies (TOF) correlate with the sigma(p) parameters of the Hammett equation in terms of a linear free-energy relationship.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 67-51-6 is helpful to your research. Name: 3,5-Dimethyl-1H-pyrazole.

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

Product Details of 86-92-0. Zhang, Y; Nie, LJ; Luo, L; Mao, JX; Liu, JX; Xu, GH; Chen, DL; Luo, HQ in [Zhang, Yong; Nie, Long-Jun; Luo, Lang; Mao, Jia-Xin; Liu, Jin-Xiang; Xu, Guo-Hai; Chen, Deliang; Luo, Hai-Qing] Garman Normal Univ, Key Lab Organopharmaceut Chem, Ganzhou 341000, Peoples R China published The selective condensation of pyrazolones to isatins in aqueous medium in 2020, Cited 69. The Name is 3-Methyl-1-p-tolyl-5-pyrazolone. Through research, I have a further understanding and discovery of 86-92-0.

The selective condensation of pyrazolones with isatins using water as the reaction medium is presented. This strategy provides an environmentally benign synthetic route to synthesize various potentially bioactive pyrazolone substituted oxindoles. (C) 2020 Elsevier Ltd. All rights reserved.

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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 Oncology very interesting. Saw the article Regorafenib for Metastatic Colorectal Cancer: An Analysis of a Registry-Based Cohort of 555 Patients published in 2020. Application In Synthesis of 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid, Reprint Addresses Buchler, T (corresponding author), Charles Univ Prague, Fac Med 1, Dept Oncol, Videnska 800, Prague 14059, Czech Republic.; Buchler, T (corresponding author), Charles Univ Prague, Thomayer Hosp, Videnska 800, Prague 14059, Czech Republic.. The CAS is 83-10-3. Through research, I have a further understanding and discovery of 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid

Purpose: Regorafenib is an oral multikinase inhibitor approved for the therapy of previously treated metastatic colorectal carcinoma (mCRC). The aim of the present study was to analyze the outcomes of treatment with regorafenib in real-world clinical practice based on data from a national registry. Methods: The CORECT registry, the Czech non-interventional database of patients with mCRC treated with targeted agents, searched for patients with metastatic CRC treated with regorafenib. In total, 555 evaluable patients were identified. Results: The median age at diagnosis was 61.7 years. All patients had disease progression on or after previous systemic treatment. Most patients were treated with an initial dose of 160 mg daily (n = 463; 83.6%). The median duration of treatment was 2.7 months (range 0.023.4 months). By the data cut-off date, 472 patients (85%) had completed treatment with regorafenib and were evaluable for treatment response evaluation. Partial response was reported in 13 patients (2.8%) and disease stabilization in 130 patients (27.5%). Median progression-free survival (PFS) and overall survival (OS) were 3.5 months (95% confidence interval [CI] 3.2-3.7 months) and 9.3 months (95% CI 8.3-10.3 months), respectively. The 6-month OS rate was 67.7% (95% CI 63.4-72.1%). Multivariable analysis showed that female gender, longer interval from diagnosis of metastatic disease, MO stage at diagnosis, and Eastern Cooperative Oncology Group performance status (ECOG PS) 0 were associated with longer PFS, while higher body-mass index (BMI), longer interval from diagnosis of metastatic disease, and ECOG PS of 0 were associated with longer OS. Conclusion: OS of patients treated with regorafenib in the real-world clinical practice in this cohort exceeded that reported in randomized trials. Regorafenib is a safe and active treatment option for a subgroup of patients with mCRC who are progressing after other systemic therapies and maintain good performance status.

About 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid, If you have any questions, you can contact Novakova-Jiresova, A; Kopeckova, K; Boublikova, L; Chloupkov, R; Melichar, B; Petruzelka, L; Finek, J; Fiala, O; Grell, P; Batko, S; Linke, Z; Kiss, I; Prausov, J; Buchler, T or concate me.. Application In Synthesis of 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid

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