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1H-Pyrazole, 3,5-dimethyl-4-nitro-1-phenyl- is a chemical compound belonging to the pyrazole family, characterized by a five-membered heterocyclic ring containing two nitrogen atoms. This specific compound features a 1-phenyl group attached to the pyrazole ring, with two methyl groups at the 3 and 5 positions and a nitro group at the 4 position. It is an organic compound with potential applications in pharmaceuticals, agrochemicals, and materials science due to its unique structure and reactivity. The compound's molecular formula is C11H11N3O2, and it has a molecular weight of 213.23 g/mol.

5809-38-1

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5809-38-1 Usage

Chemical Family

1H-Pyrazole

Structure

Pyrazole ring with methyl and nitro substituents, and a phenyl group

Common Uses

Chemical research, pharmaceutical development, synthesis of organic substances and materials

Potential Properties

Biological activities, pharmacological properties, versatile reactivity, and functional groups

Safety Precautions

Handle with care, follow proper safety protocols, potential hazards and toxic properties.

Check Digit Verification of cas no

The CAS Registry Mumber 5809-38-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,8,0 and 9 respectively; the second part has 2 digits, 3 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 5809-38:
(6*5)+(5*8)+(4*0)+(3*9)+(2*3)+(1*8)=111
111 % 10 = 1
So 5809-38-1 is a valid CAS Registry Number.

5809-38-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,5-dimethyl-4-nitro-1-phenyl-1H-pyrazole

1.2 Other means of identification

Product number -
Other names 3,5-dimethyl-4-nitro-1-phenylpyrazole

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5809-38-1 SDS

5809-38-1Relevant academic research and scientific papers

Depsipeptides Featuring a Neutral P1 Are Potent Inhibitors of Kallikrein-Related Peptidase 6 with On-Target Cellular Activity

De Vita, Elena,Schüler, Peter,Lovell, Scott,Lohbeck, Jasmin,Kullmann, Sven,Rabinovich, Eitan,Sananes, Amiram,He?ling, Bernd,Hamon, Veronique,Papo, Niv,Hess, Jochen,Tate, Edward W.,Gunkel, Nikolas,Miller, Aubry K.

, p. 8859 - 8874 (2018/10/09)

Kallikrein-related peptidase 6 (KLK6) is a secreted serine protease that belongs to the family of tissue kallikreins (KLKs). Many KLKs are investigated as potential biomarkers for cancer as well as therapeutic drug targets for a number of pathologies. KLK6, in particular, has been implicated in neurodegenerative diseases and cancer, but target validation has been hampered by a lack of selective inhibitors. This work introduces a class of depsipeptidic KLK6 inhibitors, discovered via high-throughput screening, which were found to function as substrate mimics that transiently acylate the catalytic serine of KLK6. Detailed structure-activity relationship studies, aided by in silico modeling, uncovered strict structural requirements for potency, stability, and acyl-enzyme complex half-life. An optimized scaffold, DKFZ-251, demonstrated good selectivity for KLK6 compared to other KLKs, and on-target activity in a cellular assay. Moreover, DKFZ-633, an inhibitor-derived activity-based probe, could be used to pull down active endogenous KLK6.

CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN-RELATED PEPTIDASE 6 (KLK6)

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Paragraph 0179; 0180, (2018/04/19)

The invention relates to compounds which are suitable for the treatment of a disease associated with kallikrein-like peptidase 6 overexpression and to pharmaceutical compositions containing such compounds. The invention further relates to a kit of parts comprising such compounds or pharmaceutical compositions.

Regioselective N-arylation of nitroazoles. Determination of the structure of N-arylnitro-azoles on the basis of NMR spectroscopic data and quantum-chemical calculations

Chertkov,Shestakova,Davydov

experimental part, p. 45 - 54 (2012/01/05)

The N-arylation of a series of nitroazoles has been studied with the aid of diaryliodonium salts in the presence of CuI under the action of microwave radiation. It was found that alkylation proceeds regioselectively in each actual case with the formation

Reactions of pyrazoles and pyrazolium salts with complex metal hydrides and organometallic reagents. Synthesis of pyrazolines and pyrazolidines

Cuadrado, Purificacion,Gonzalez-Nogal, Ana M.,Martinez, Senen

, p. 8585 - 8598 (2007/10/03)

2-Pyrazolin-4-oximes have been synthesized by reaction of 4-nitroso- and 4-nitropyrazoles with complex metal hydrides and organometallic reagents. Furthermore, 4-nitropyrazolium tetrafluoroborates are reactive substrates towards organolithium and Grignard

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