Name: Plevitrexed
Rating: 5 (10 reviews)

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HIT ID:HIT212672876
Cas No:153537-73-6
常用名:Plevitrexed
别名:ZD 9331, BGC9331
IUPAC:(2S)-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:(2S)-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-NRFANRHFSA-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

Plevitrexed is taken up via the α-folate receptor as well as the reduced folate carrier. Plevitrexed is an orally active and effective thymidylate synthase (TS) inhibitor (Ki: 0.44 nM). Plevitrexed is used for gastric cancer in clinical.

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