N1-(4-氯苯基)-6-甲基-N5-[3-(9H-嘌呤-6-基)-2-吡啶]-1,5-异喹啉二胺

中文名称:

N1-(4-氯苯基)-6-甲基-N5-[3-(9H-嘌呤-6-基)-2-吡啶]-1,5-异喹啉二胺

中文同义词:

N1-(4-氯苯基)-6-甲基-N5-[3-(9H-嘌呤-6-基)-2-吡啶]-1,5-异喹啉二胺;N1-(4-氯苯基)-6-甲基-N5-[3-(9H-嘌呤-6-基)-2-吡啶基]-1,5-异喹啉二胺;B-RAF抑制剂(B-RAF INHIBITOR 1)

英文名称:

B-Raf inhibitor 1

英文同义词:

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

CAS号:

1093100-40-3

分子式:

C26H19ClN8

分子量:

478.94

EINECS号:

相关类别:

小分子抑制剂;小分子抑制剂，天然产物;细胞生物学试剂;Inhibitors

Mol文件:

1093100-40-3.mol

沸点 

735.4±60.0 °C(Predicted)

密度 

1.461±0.06 g/cm3(Predicted)

酸度系数(pKa)

8.41±0.10(Predicted)

生物活性

Raf inhibitor 1是一种有效的 Raf 激酶抑制剂，作用于 B-RafWT, B-RafV600E, 和 C-Raf, Ki 分别为 1 nM, 1 nM, 和 0.3 nM。

靶点

B-Raf 1 nM (Ki) B-Raf V600E 1 nM (Ki) c-Raf 0.3 nM (Ki)

B-Raf 1 nM (Ki)

B-Raf V600E 1 nM (Ki)

体外研究

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. Raf inhibitor 1 (Compound 13) additionally exhibits 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.