Name: Trifluridine/tipiracil hydrochloride mixture
Rating: 5 (10 reviews)

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HIT ID:HIT212657845
Cas No:733030-01-8
常用名:Trifluridine/tipiracil hydrochloride mixture
常用名:Trifluridine/tipiracil hydrochloride mixture
别名:Trifluridine-tipiracil hydrochloride mixture, TAS-102, TAS102, TAS 102
别名:Trifluridine-tipiracil hydrochloride mixture, TAS-102, TAS102, TAS 102
IUPAC:bis(1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione) 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
IUPAC:bis(1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione) 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
InChI key:KTHXRTQHERFOMN-KTANBIAZSA-N

分子式:C29H34Cl2F6N8O12
分子量:871.53
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:-0.7546265
SMILES:Cl.Clc1c(CN2CCCC2=N)[nH]c(=O)[nH]c1=O.OC[C@@H]1O[C@H](C[C@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F.OC[C@@H]1O[C@H](C[C@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
SMILES:Cl.Clc1c(CN2CCCC2=N)[nH]c(=O)[nH]c1=O.OC[C@@H]1O[C@H](C[C@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F.OC[C@@H]1O[C@H](C[C@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F

Trifluridine/tipiracil hydrochloride mixture (TAS-102) 是一种新型口服组合药物，含有摩尔比为 2:1 的曲氟尿苷(TFT) 和盐酸替吡嘧啶 (TTP)。它主要通过抑制胸苷酸合酶 (TS) 和掺入 DNA 来显示抗肿瘤活性。

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