1093100-40-3
中文名稱
N1-(4-氯苯基)-6-甲基-N5-[3-(9H-嘌呤-6-基)-2-吡啶]-1,5-異喹啉二胺
英文名稱
B-Raf inhibitor 1
CAS
1093100-40-3
分子式
C26H19ClN8
分子量
478.94
MOL 文件
1093100-40-3.mol
更新日期
2024/06/12 17:31:26
1093100-40-3 結(jié)構(gòu)式
基本信息
中文別名
B-RAF抑制劑(B-RAF INHIBITOR 1)N1-(4-氯苯基)-6-甲基-N5-[3-(9H-嘌呤-6-基)-2-吡啶]-1,5-異喹啉二胺
N1-(4-氯苯基)-6-甲基-N5-[3-(9H-嘌呤-6-基)-2-吡啶基]-1,5-異喹啉二胺
英文別名
CS-927or Base
Raf inhibitor 1
B-Raf inhibitor 1
BRAF inhibitor 13
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-N-(4-chlorophenyl)-6-methyl-5-N-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine
1,5-IsoquinolinediaMine, N1-(4-chlorophenyl)-6-Methyl-N5-[3-(9H-purin-6-yl)-2-pyridinyl]-
所屬類別
生物化工：激動(dòng)劑抑制劑物理化學(xué)性質(zhì)
沸點(diǎn)735.4±60.0 °C(Predicted)
密度1.461±0.06 g/cm3(Predicted)
儲(chǔ)存條件-20°C儲(chǔ)存
溶解度≥ 47.9mg/mL in DMSO
酸度系數(shù)(pKa)8.41±0.10(Predicted)
形態(tài)Solid
顏色Light yellow to yellow
常見問題列表
生物活性
Raf inhibitor 1是一種有效的 Raf 激酶抑制劑，作用于 B-RafWT, B-RafV600E, 和 C-Raf, Ki 分別為 1 nM, 1 nM, 和 0.3 nM。靶點(diǎn)
|
B-Raf 1 nM (Ki) |
B-Raf V600E 1 nM (Ki) |
c-Raf 0.3 nM (Ki) |
體外研究
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.