Name: Tilpisertib fosmecarbil TFA
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT218850538
Cas No:
常用名:Tilpisertib fosmecarbil TFA
别名:GS 5290 TFA
IUPAC:[({[(R)-(1-{bicyclo[1.1.1]pentan-1-yl}-1H-1,2,3-triazol-4-yl)(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)methyl]({8-chloro-3-cyano-4-[(2,2-dimethylpropyl)amino]quinolin-6-yl})carbamoyl}oxy)methoxy]phosphonic acid; trifluoroacetic acid
IUPAC:[({[(R)-(1-{bicyclo[1.1.1]pentan-1-yl}-1H-1,2,3-triazol-4-yl)(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)methyl]({8-chloro-3-cyano-4-[(2,2-dimethylpropyl)amino]quinolin-6-yl})carbamoyl}oxy)methoxy]phosphonic acid; trifluoroacetic acid
InChI key:IQAXFQBBUUXECL-LULXGCMWSA-N

分子式:C37H37ClF3N8O9P
分子量:861.17
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.Cn1ccc2c(cccc2c1=O)[C@@H](N(C(=O)OCOP(O)(O)=O)c1cc(Cl)c2ncc(C#N)c(NCC(C)(C)C)c2c1)c1cn(nn1)C12CC(C1)C2
SMILES:OC(=O)C(F)(F)F.Cn1ccc2c(cccc2c1=O)[C@@H](N(C(=O)OCOP(O)(O)=O)c1cc(Cl)c2ncc(C#N)c(NCC(C)(C)C)c2c1)c1cn(nn1)C12CC(C1)C2

Tilpisertib fosmecarbil TFA 为 Tilpisertib 的 TFA 盐态，且该化合物为丝氨酸/苏氨酸激酶的有效抑制剂，同时也展现出抗炎活性。

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