Name: Valemetostat tosylate
Rating: 5 (10 reviews)

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HIT ID:HIT212671644
Cas No:1809336-93-3
常用名:Valemetostat tosylate
别名:DS-3201 tosylate
IUPAC:(2R)-7-chloro-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2,4-dimethyl-2-[(1r,4R)-4-(dimethylamino)cyclohexyl]-2H-1,3-benzodioxole-5-carboxamide; 4-methylbenzene-1-sulfonic acid
IUPAC:(2R)-7-chloro-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2,4-dimethyl-2-[(1r,4R)-4-(dimethylamino)cyclohexyl]-2H-1,3-benzodioxole-5-carboxamide; 4-methylbenzene-1-sulfonic acid
InChI key:JSBKGJUYSLVFPF-WJQUPPJOSA-N

分子式:C33H42ClN3O7S
分子量:660.22
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:3.5251665
SMILES:Cc1ccc(cc1)S(O)(=O)=O.[H][C@@]1(CC[C@@H](CC1)N(C)C)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc(C)[nH]c1=O
SMILES:Cc1ccc(cc1)S(O)(=O)=O.[H][C@@]1(CC[C@@H](CC1)N(C)C)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc(C)[nH]c1=O

Valemetostat tosylate is a dual inhibitor of EZH1/2 and used in the research of relapsed/refractory peripheral T-cell lymphoma.

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