Name: (R)-Plevitrexed
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212686683
Cas No:153537-74-7
常用名:(R)-Plevitrexed
别名:(R)-普来曲塞, (R)-ZD 9331, (R)-BGC9331
IUPAC:(2R)-2-[(4-{[(2,7-dimethyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}-2-fluorophenyl)formamido]-4-(2H-1,2,3,4-tetrazol-5-yl)butanoic acid
IUPAC:(2R)-2-[(4-{[(2,7-dimethyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}-2-fluorophenyl)formamido]-4-(2H-1,2,3,4-tetrazol-5-yl)butanoic acid
InChI key:IEJSCSAMMLUINT-OAQYLSRUSA-N

分子式:C26H25FN8O4
分子量:532.536
氢键供体数 (HBD):4
氢键受体数 (HBA):9
LogP:1.6887454
SMILES:Cc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)N[C@H](CCc4nn[nH]n4)C(O)=O)c(F)c3)cc2c(=O)[nH]1
SMILES:Cc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)N[C@H](CCc4nn[nH]n4)C(O)=O)c(F)c3)cc2c(=O)[nH]1

(R)-Plevitrexed is a less active enantiomer of Plevitrexed. Plevitrexed is an orally active and potent inhibitor of thymidylate synthase (TS).

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