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Chemical structure of B-Raf inhibitor 1 dihydrochloride

GC14907

B-Raf inhibitor 1 dihydrochloride

Also known as 1-N-(4-chlorophenyl)-6-methyl-5-N-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinoline-1,5-diamine;dihydrochloride

B-B-Raf inhibitor 1 dihydrochloride is a potent Raf kinase inhibitor with Kis of 1 nM, 1 nM, and 0·3 nM for B-RafWT, B-RafV600E, and C-Raf, respectively

ChemicalCAS1191385-19-9MW551.86FormulaC26H21Cl3N8
CAS number
1191385-19-9
Molecular weight
551.86
Formula
C26H21Cl3N8
Solubility
DMF： 1mg/mL,DMSO： 10mg/mL,DMSO：PBS (pH 7·2) (1：2)： 0·3mg/mL
InChIKey
HRLQRNBAJCQMMG-UHFFFAOYSA-N
Catalogue number
GC14907
Brand
GLPBIO
Computed properties PubChem CID 44247765 · TPSA 104 Ų · H-bond donors 5 · H-bond acceptors 7
TPSA
104 Ų
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
37

SMILES CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=C(C=C3)Cl)NC4=C(C=CC=N4)C5=C6C(=NC=N5)N=CN6.Cl.Cl

Computed descriptors from PubChem (CID 44247765), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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