Name: ML120 analog 1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848492
Cas No:445426-74-4
常用名:ML120 analog 1
IUPAC:2-(4-{[5-(4-chlorophenyl)-7-methyl-3-oxo-6-[(propan-2-yloxy)carbonyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid
IUPAC:2-(4-{[5-(4-chlorophenyl)-7-methyl-3-oxo-6-[(propan-2-yloxy)carbonyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid
InChI key:IOSUGCLQHJKTCK-UHFFFAOYSA-N

分子式:C26H23ClN2O6S
分子量:526.99
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)OC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1
SMILES:CC(C)OC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1

ML120 analog 1 (compound 1) acts as a competitive inhibitor of Hematopoietic protein tyrosine phosphatase (HePTP), exhibiting a K i value of 0.69 μM [1].

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