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

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结构编辑

类似物检索

HIT ID:HIT212673209
Cas No:
常用名:MBC-11 triethylamine
IUPAC:(1-{[({[(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}-1-hydroxyethyl)phosphonic acid; triethylamine
IUPAC:(1-{[({[(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}-1-hydroxyethyl)phosphonic acid; triethylamine
InChI key:KSJMUOBBQFQDAA-UIRRGPDLSA-N

分子式:C17H35N4O14P3
分子量:612.402
氢键供体数 (HBD):8
氢键受体数 (HBA):14
LogP:-4.1073394
SMILES:CCN(CC)CC.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:CCN(CC)CC.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 triethylamine has potential to treat tumor-induced bone disease (TIBD), is a first-in-class conjugate of the bone-targeting bisphosphonate etidronate covalently linked to the antimetabolite cytarabine (araC).

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