Name: pan-Raf/RTK inhibitor 1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT219250637
Cas No:1980821-53-1
常用名:pan-Raf/RTK inhibitor 1
IUPAC:4-methyl-N-{4-[(morpholin-4-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[1-(7H-purin-6-yl)cyclopropaneamido]benzamide
IUPAC:4-methyl-N-{4-[(morpholin-4-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[1-(7H-purin-6-yl)cyclopropaneamido]benzamide
InChI key:JJZOMHGFHHDWQO-UHFFFAOYSA-N

分子式:C29H28F3N7O3
分子量:579.584
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2nc[nH]c12)C(=O)Nc1ccc(CN2CCOCC2)c(c1)C(F)(F)F
SMILES:Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2nc[nH]c12)C(=O)Nc1ccc(CN2CCOCC2)c(c1)C(F)(F)F

Pan-Raf/RTK inhibitor 1 (compound I-16) 是一种高效的泛Raf抑制剂，IC50值为 3.49 nM (BRafV600E)、8.86 nM (ARaf)、5.78 nM (BRafWT) 和 1.65 nM (CRaf)。Pan-Raf/RTK inhibitor 1 显示出抗多种癌症细胞系的增殖活性，适用于癌症研究。

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