CAS: 1643378-47-5; (1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(4-Fluorophenyl)Cyclopropyl)Amino)-5-(Propylthio)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-yl)-5-(2-Hydroxyethoxy)Cyclopentane-1,2-Diol

英文名称(1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(4-Fluorophenyl)Cyclopropyl)Amino)-5-(Propylthio)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-yl)-5-(2-Hydroxyethoxy)Cyclopentane-1,2-Diol
中文名称替格瑞洛杂质
IUPAC名称(1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(4-fluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
其它别名Ticagrelor Diastereoisomer 1; Ticagrelor Diastereoisomer 2; (1R,2R,3S,5R)-3-(7-(((1R,2R)-2-(3,4-Difluorophenyl)Cyclopropyl)Amino)-5-(Propylthio)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-yl)-5-(2-Hydroxyethoxy)Cyclopentane-1,2-Diolcompound With (1R,2R,3S,5R)-3-(7-(((1S,2S)-2-(3,4-Difluorophenyl)Cyclopropyl)Amino; (1R,2R,3S,5R)-3-(7-(((1R,2R)-2-(3,4-Difluorophenyl)Cyclopropyl)Amino)-5-(Propylthio)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-yl)-5-(2-Hydroxyethoxy)Cyclopentane-1,2-Diol Compound With(1R,2R,3S,5R)-3-(7-(((1S,2S)-2-(3,4-Difluorophenyl)Cyclopropyl)Amino)-5; Ent-Ticagrelor; 2-(((3Ar,4S,6R,6As)-6-((6-Chloro-5-((3-((3As,4R,6S,6Ar)-6-(2-Hydroxyethoxy)-2,2-Dimethyltetrahydro-4H-Cyclopenta[d][1,3]Dioxol-4-yl)-5-(Propylthio)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-7-yl)Amino)-2-(Propylthio)Pyrimidin-4-yl)Amino)-2,2-Dimethyltetrahydro-4; (1R,2R,3S,5R)-3-(7-(((1R,2R)-2-(3,4-Difluorophenyl)Cyclopropyl)Amino)-5-(Propylthio)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-yl)-5-(2-Hydroxyethoxy)Cyclopentane-1,2-Diol Compound With (1R,2R,3S,5R)-3-(7-(((1S,2S)-2-(3,4-Difluorophenyl)C; Ticagrelor Impurity 3/ticagrelor 4-Fluoro Impurity/(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(4-Fluorophenyl)Cyclopropyl]Amino]-5-(Propylthio)-3H-1,2,3-Triazolo[4,5-D]Pyrimidin-3-Yl]-5-(2-Hydroxyethoxy)-1,2-Cyclopentanediol
CAS编号1643378-47-5
FDA UNII编号:3E9C84Q228
分子式:C23H29FN6O4S分子量:504.59
产品CID: 834828
产品分类有机原料 → 有机杂环化合物 → 三唑并嘧啶类

相似结构搜索
InChIKey: ASMJTLOWUSPYAW-NGIYPOHESA-N
InChI=1S/C23H29FN6O4S/c1-2-9-35-23-26-21(25-15-10-14(15)12-3-5-13(24)6-4-12)18-22(27-23)30(29-28-18)16-11-17(34-8-7-31)20(33)19(16)32/h3-6,14-17,19-20,31-33H,2,7-11H2,1H3
计算化学: 氢键受体数11.0氢键供体数4.0可旋转键数10.0

MSDS等安全信息

警示词warning
危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
安全声明H303+H313+H333

合成工艺路线路线简述

📜2-[[(3Ar,4S,6R,6As)-6-[7-[[(1R,2S)-2-(4-Fluorophenyl)Cyclopropyl]Amino]-5-Propylsulfanyltriazolo[4,5-D]Pyrimidin-3-Yl]-2,2-Dimethyl-4,5,6,6A-Tetrahydro-3Ah-Cyclopenta[d][1,3]Dioxol-4-Yl]Oxy]Ethanol置于盐酸体系中,用水,甲苯用作溶剂,以3.6 G的收率获得替格瑞洛杂质
参考文献:Cn107513066
标题:Cn107513066