B-Raf Inhibitor 1


CAS No. : 1093100-40-3

B-Raf Inhibitor 1,1093100-40-3
Product Details
For research use only. Not Intended for Therapeutic Use!
Cat No:I000391
Synonyms:1-N-(4-chlorophenyl)-6-methyl-5-N-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine
Molecular Formula:C₂₆H₁₉ClN₈
Molecular Weight:478.94
Target:Raf
IC50:0.31 uM and 2 nM for A375 proliferation and A375 p-ERK [1]
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Appearance:Solid powder
Purity: > 98%
Cat No:I000391
Cas No:1093100-40-3
Product-Name:B-Raf Inhibitor 1
InChI:InChI=1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33)
InChIKey:KKVYYGGCHJGEFJ-UHFFFAOYSA-N
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

B-Raf inhibitor 1 is a potent and selective B-Raf inhibitor with cell IC50s of 0.31 uM and 2 nM for A375 proliferation and A375 p-ERK respectively.
IC50 value: 0.31 uM and 2 nM for A375 proliferation and A375 p-ERK [1]
Target: B-Raf
B-Raf inhibitor 1(Compound 13) binds to and stabilizes B-Raf in a DFG-out, inactive conformation in which the ATP pocket is partially filled by Phe595 and Gly596 from the DFG motif. Compound 13 exhibit low micromolar inhibition against wild type B-Raf cell lines, which may be due to off-target kinase activities or
alternatively to pan-Raf inhibition, including Raf dimers. Compound 13 induced proliferation and hyperplasia in normal tissues of mice [1]


[1]. Wang X, et al. Conformation-specific effects of Raf kinase inhibitors. J Med Chem. 2012 Sep 13;55(17):7332-41.

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