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Home > Product > Material & Chemicals > Polymer/Macromolecule > 6-Chloro-3,5-diamino-2-pyrazinecarboxamide

6-Chloro-3,5-diamino-2-pyrazinecarboxamide | CAS Number: 14236-57-8

Catalog Number
ACM14236578
Product Name
6-Chloro-3,5-diamino-2-pyrazinecarboxamide
Structure
CAS Number
14236-57-8
IUPAC Name
3,5-diamino-6-chloropyrazine-2-carboxamide
Synonyms
TIMTEC-BB SBB003685;6-CHLORO-3,5-DIAMINO-2-PYRAZINECARBOXAMIDE;3,5-DiaMino-6-chloropyrazine-2-carboxaMide
Molecular Weight
187.59
Exact Mass
187.02600
Molecular Formula
C5H6ClN5O
Boiling Point
382.5ºC at 760 mmHg
Melting Point
219-221ºC(lit.)
Flash Point
185.1ºC
Density
1.688g/cm3
Purity
96%
SMILES
C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N
InChIKey
UYTQEWLAYXCJEC-UHFFFAOYSA-N
H-Bond Donor
3
H-Bond Acceptor
5
Safty Description
26-36
Hazard Statements
Xi: Irritant;
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1Fragment-Based Design, Synthesis, and Biological Evaluation of 1-Substituted-indole-2-carboxylic Acids as Selective Mcl-1 Inhibitors.

Wang Z1, Xu W1, Song T2, Guo Z2, Liu L1, Fan Y2, Wang A1, Zhang Z1.

Arch Pharm (Weinheim). 2016 Dec 2. doi: 10.1002/ardp.201600251. [Epub ahead of print]

Based on a known selective Mcl-1 inhibitor, 6-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-1H-indole-2-carboxylic acid, we applied a fragment-based approach to obtain new molecules that extended into the p1 pocket of the BH3 groove and then exhibited binding selectivity for the Mcl-1 over the Bcl-2 protein. After we deconstructed the 1H-indole-2-carboxylic acid from the parental molecule, a benzenesulfonyl was substituted at the 1-position to adopt a geometry preferred for accessing the p1 pocket according to the binding mode of the parental molecule identified by X-ray crystallography. Read More

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