Name: MBC-11 trisodium
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218833087
Cas No:
常用名:MBC-11 trisodium
IUPAC:trisodium {[(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl (1-hydroxy-1-phosphonatoethyl)phosphonate
IUPAC:trisodium {[(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl (1-hydroxy-1-phosphonatoethyl)phosphonate
InChI key:UBUXPYGNRUBKPD-XVIIANRVSA-K

分子式:C11H17N3Na3O14P3
分子量:577.155
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].[Na+].CC(O)(P([O-])([O-])=O)P([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1ccc(N)nc1=O
SMILES:[Na+].[Na+].[Na+].CC(O)(P([O-])([O-])=O)P([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1ccc(N)nc1=O

MBC-11 trisodium has potential to treat tumor-induced bone disease (TIBD).It is a first-in-class conjugate of the bone-targeting bisphosphonate HEDP covalently linked to the antimetabolite Ara-C.

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