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ChemicalBook--->CAS DataBase List--->1093100-40-3

1093100-40-3

1093100-40-3 Structure

1093100-40-3 Structure
IdentificationBack Directory
[Name]

B-Raf inhibitor 1
[CAS]

1093100-40-3
[Synonyms]

CS-927
or Base
Raf inhibitor 1
BRAF inhibitor 13
B-Raf inhibitor 1
B-Raf inhibitor 1 Base
B-Raf inhibitor 1, >=98%
N1-(4-Chlorophenyl)-6-methyl-N5-[3-(9H-purin-6-yl)-2-pyridinyl]-1,5-isoquinolinediamine
1,5-IsoquinolinediaMine, N1-(4-chlorophenyl)-6-Methyl-N5-[3-(9H-purin-6-yl)-2-pyridinyl]-
1-N-(4-chlorophenyl)-6-methyl-5-N-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine
[Molecular Formula]

C26H19ClN8
[MDL Number]

MFCD22571725
[MOL File]

1093100-40-3.mol
[Molecular Weight]

478.94
Chemical PropertiesBack Directory
[Boiling point ]

735.4±60.0 °C(Predicted)
[density ]

1.461±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

≥ 47.9mg/mL in DMSO
[form ]

Solid
[pka]

8.41±0.10(Predicted)
[color ]

Light yellow to yellow
Safety DataBack Directory
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

Raf inhibitor 1 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.
[Biological Activity]

B-Raf inhibitor 1 is a potent Raf kinase inhibitor for B-RafWT, B-RafV600E, and C-Raf with Ki of 1 nM, 1 nM, and 0.3 nM, respectively.
[in vitro]

Raf inhibitor 1 (Compound 13) inhibits A375 and HCT-116 proliferation with IC 50 s of 0.31 and 0.72 μM, respectively. 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.
[target]

B-Raf

< span> 1 nM (Ki)

B-Raf V600E

1 nM (Ki)

c-Raf

0.3 nM (Ki )

[IC 50]

B-Raf: 1 nM (Ki); B-RafV600E: 1 nM (Ki); c-Raf: 0.3 nM (Ki)
[storage]

Store at -20°C
[References]

[1] Wang X, et al. Conformation-specific effects of Raf kinase inhibitors. J Med Chem. 2012 Sep 13;55(17):7332-41. DOI:10.1021/jm300613w
Spectrum DetailBack Directory
[Spectrum Detail]

B-Raf inhibitor 1(1093100-40-3)1HNMR
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16495-13-9 100-51-6 9011-14-7 99-93-4 516-05-2

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