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251658-55-6

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251658-55-6 Usage

General Description

3-Tert-butyl-1-(4-nitrophenyl)-1H-pyrazol-5-amine is a chemical compound with the molecular formula C13H16N4O2. It is a pyrazole derivative that contains a tert-butyl substituent at the 3-position and a nitrophenyl group at the 1-position. 3-TERT-BUTYL-1-(4-NITROPHENYL)-1H-PYRAZOL-5-AMINE is commonly used as a building block in organic synthesis and pharmaceutical research. Its unique structure and functional groups make it useful for the development of new drugs and bioactive molecules. It may also have potential applications in the fields of medicinal chemistry and drug discovery.

Check Digit Verification of cas no

The CAS Registry Mumber 251658-55-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,5,1,6,5 and 8 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 251658-55:
(8*2)+(7*5)+(6*1)+(5*6)+(4*5)+(3*8)+(2*5)+(1*5)=146
146 % 10 = 6
So 251658-55-6 is a valid CAS Registry Number.
InChI:InChI=1/C13H16N4O2/c1-13(2,3)11-8-12(14)16(15-11)9-4-6-10(7-5-9)17(18)19/h4-8H,14H2,1-3H3

251658-55-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-amine

1.2 Other means of identification

Product number -
Other names -

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 -
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More Details:251658-55-6 SDS

251658-55-6Relevant articles and documents

5-Amino-3-tert-butyl-1-(4-nitrophenyl)-1H-pyrazole forms hydrogen-bonded sheets of alternating R22(20) and R66(32) rings

Low, John N.,Cobo, Justo,Abonia, Rodrigo,Quiroga, Jairo,Glidewell, Christopher

, p. o194-o195 (2004)

Molecules of the title compound, C13H16N4O2, are linked by one N - H...O hydrogen bond [H...O = 2.47 A, N...O = 3.326 (2) A and N - H...O = 166°] and one N - H...N hydrogen bond [H...N = 2.19 A, N...N = 3.063 (2) A and N - H...N = 173°] into sheets containing alternating R22(20) and R66(32) rings, both types of which are centrosymmetric.

Selective targeting of the αC and DFG-out pocket in p38 MAPK

R?hm, Sandra,Schr?der, Martin,Dwyer, Jessica E.,Widdowson, Caroline S.,Chaikuad, Apirat,Berger, Benedict-Tilman,Joerger, Andreas C.,Kr?mer, Andreas,Harbig, Jule,Dauch, Daniel,Kudolo, Mark,Laufer, Stefan,Bagley, Mark C.,Knapp, Stefan

, (2020/10/09)

The p38 MAPK cascade is a key signaling pathway linked to a multitude of physiological functions and of central importance in inflammatory and autoimmune diseases. Although studied extensively, little is known about how conformation-specific inhibitors alter signaling outcomes. Here, we have explored the highly dynamic back pocket of p38 MAPK with allosteric urea fragments. However, screening against known off-targets showed that these fragments maintained the selectivity issues of their parent compound BIRB-796, while combination with the hinge-binding motif of VPC-00628 greatly enhanced inhibitor selectivity. Further efforts focused therefore on the exploration of the αC-out pocket of p38 MAPK, yielding compound 137 as a highly selective type-II inhibitor. Even though 137 is structurally related to a recent p38 type-II chemical probe, SR-318, the data presented here provide valuable insights into back-pocket interactions that are not addressed in SR-318 and it provides an alternative chemical tool with good cellular activity targeting also the p38 back pocket.

Design, synthesis and biological evaluation of novel substituted N,N′-diaryl ureas as potent p38 inhibitors

Zhu, Dianxi,Li, Xingzhou,Zhong, Wu,Zhao, Dongmei

, p. 16604 - 16619 (2015/12/01)

A novel series of substituted N,N′-diaryl ureas that act as p38α inhibitors have been designed and synthesized based on two key residues (Gly110 and Thr106) that are different in p38α MAPK than in other kinases. Preliminary biological evaluation indicated

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