Name: Milademetan free base
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317715
Cas No:1398569-75-9
常用名:Milademetan free base
别名:DS-3032B, DS3032B, DS-3032, DS3032, DS 3032B, DS 3032
别名:DS-3032B, DS3032B, DS-3032, DS3032, DS 3032B, DS 3032
IUPAC:(3'R,4'S,5'R)-N-[(3R,6S)-6-carbamoyloxan-3-yl]-6''-chloro-4'-(2-chloro-3-fluoropyridin-4-yl)-4,4-dimethyl-2''-oxo-1'',2''-dihydrodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indole]-5'-carboxamide; 4-methylbenzene-1-sulfonic acid
IUPAC:(3'R,4'S,5'R)-N-[(3R,6S)-6-carbamoyloxan-3-yl]-6''-chloro-4'-(2-chloro-3-fluoropyridin-4-yl)-4,4-dimethyl-2''-oxo-1'',2''-dihydrodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indole]-5'-carboxamide; 4-methylbenzene-1-sulfonic acid
InChI key:NHIUKVHKLJSJEA-LINJWFRASA-N

分子式:C37H42Cl2FN5O7S
分子量:790.73
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1ccc(cc1)S(O)(=O)=O.CC1(C)CCC2(CC1)N[C@H]([C@H](c1ccnc(Cl)c1F)[C@]21C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@@H]1CC[C@H](OC1)C(N)=O
SMILES:Cc1ccc(cc1)S(O)(=O)=O.CC1(C)CCC2(CC1)N[C@H]([C@H](c1ccnc(Cl)c1F)[C@]21C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@@H]1CC[C@H](OC1)C(N)=O

Milademetan (DS-3032b or DS-3032) is a potent and selective MDM2 inhibitor with potential antineoplastic activity. Milademetan (p.o.) binds to and prevents the binding of MDM2 protein to the transcriptional activation domain of the tumor suppressor protein p53.

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