Name: JAK2-IN-11
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219136848
Cas No:3057053-17-2
常用名:JAK2-IN-11
IUPAC:methyl N-[(1R,3R)-3-(6-{[4-(4-cyanopiperidine-1-carbonyl)-8-(trifluoromethyl)quinolin-2-yl]amino}-3-(2H3)methyl-2-oxo-1H,2H,3H-imidazo[4,5-c]pyridin-1-yl)cyclopentyl]carbamate
IUPAC:methyl N-[(1R,3R)-3-(6-{[4-(4-cyanopiperidine-1-carbonyl)-8-(trifluoromethyl)quinolin-2-yl]amino}-3-(2H3)methyl-2-oxo-1H,2H,3H-imidazo[4,5-c]pyridin-1-yl)cyclopentyl]carbamate
InChI key:IEGZZYVXLQVIJC-ASFMBUNISA-N

分子式:C31H31F3N8O4
分子量:639.655
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[2H]C([2H])([2H])n1c2cnc(Nc3cc(C(=O)N4CCC(CC4)C#N)c4cccc(c4n3)C(F)(F)F)cc2n([C@@H]2CC[C@H](C2)NC(=O)OC)c1=O
SMILES:[2H]C([2H])([2H])n1c2cnc(Nc3cc(C(=O)N4CCC(CC4)C#N)c4cccc(c4n3)C(F)(F)F)cc2n([C@@H]2CC[C@H](C2)NC(=O)OC)c1=O

JAK2-IN-11 (Example 6)，作为一种JAK2激酶抑制剂，显示出对JH2 BIND WT/V617F的IC50值不超过10 nM，并具备抗肿瘤活性。

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