CAS: 2096989-56-7; (1S,2S,3R,5S)-3-(7-(((1S,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

英文名称(1S,2S,3R,5S)-3-(7-(((1S,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
中文名称替格瑞洛杂质K
IUPAC名称(1S,2S,3R,5S)-3-(7-(((1S,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
其它别名(1S,2S,3R,5S)-3-(7-((1S,2R)-2-(3,4-Difluorophenyl)Cyclopropylamino)-5-(Propylthio)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-yl)-5-(2-Hydroxyethoxy)Cyclopentane-1,2-Diol; Ticagrelor Impurity 6/(1S,2S,3R,5S)-3-[7-[[(1S,2R)-2-(3,4-Difluorophenyl)Cyclopropyl]Amino]-5-(Propylthio)-3H-1,2,3-Triazolo[4,5-D]Pyrimidin-3-Yl]-5-(2-Hydroxyethoxy)-1,2-Cyclopentanediol; Ticagrelor-11; 1,2-Cyclopentanediol, 3-[7-[[(1S,2R)-2-(3,4-Difluorophenyl)Cyclopropyl]Amino]-5-(Propylthio)-3H-1,2,3-Triazolo[4,5-D]Pyrimidin-3-Yl]-5-(2-Hydroxyethoxy)-, (1S,2S,3R,5S)-; (1S,2S,3R,5S)-3-(7-(((1S,2R)-2-(3,4-Difluorophenyl)Cyclopropyl) Amino)-5-(Propylthio)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-yl)-5- (2-Hydroxyethoxy)Cyc; Ticagrelor Impurity Sip-1; (1S,2R)-Ticagrelor
CAS编号2096989-56-7
MFCD编号:MFCD26967981
FDA UNII编号:VVC9YC2X6Q
分子式:C23H28F2N6O4S分子量:522.58
产品CID: 1075746
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: OEKWJQXRCDYSHL-KCODXIBCSA-N
InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5
计算化学: 氢键受体数12.0氢键供体数4.0可旋转键数10.0

物理性质

熔点215 - 216°C
沸点777.6±70.0 °C(预测)
密度1.67±0.1 g/cm3(预测)
pKa:13.26±0.70(预测)
LogP:2
溶解性DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
外观形态白色至类白色固体
储存条件防潮, -20°C 冰箱, 在惰性气其中

合成工艺路线路线简述

📜在 5%-Palladium/activated Carbon,氢气体系中,用甲醇用作溶剂,20.0~25.0 °C,300.01 Kpa 条件下,以98.1%的收率获得替格瑞洛杂质k
参考文献:一种替格瑞洛溶液的制备方法
标题:一种替格瑞洛溶液的制备方法
摘要:本发明公开了一种替格瑞洛溶液的制备方法,将替格瑞洛i粗品的羟基经保护基保护,然后将得到的化合物ii的粗品进行分离纯化,得到高纯度化合物ii;再将高纯度化合物ii在合适的反应条件下脱除羟基保护基,反应混合物经后处理并去除副产物,得到满足药用的高纯度的替格瑞洛i,其与溶剂或者与溶剂和药用辅料形成溶液,该溶液脱除溶剂后,可以得到满足药用要求的替格瑞洛或含有替格瑞洛及辅料的混合物.本发明提供的新方法反应条件温和,操作简便,成本低廉,环境友好,适合工业化生产.

海关参考信息

2902600000-乙苯
2902700000-异丙基苯
2905122000-异丙醇
2905310000-1,2-乙二醇
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详情请参考：📖 海关编码查询和海关进出口税则

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合成参考文献

参考文献:10.1007/s11239-010-0457-5
摘要:Campo G, Fileti L, Valgimigli M, Tebaldi M, Cangiano E, Cavazza C, Marchesini J, Ferrari R. Poor response to clopidogrel: current and future options for its management. Journal of Thrombosis and Thrombolysis. 2010 Feb 16;30(3):319–31. doi: 10.1007/s11239-010-0457-5.
参考文献:10.1007/s11239-010-0448-6
摘要:Schwalm JR, Ahmad M, Salehian O, Eikelboom JW, Natarajan MK. Warfarin after anterior myocardial infarction in current era of dual antiplatelet therapy: a randomized feasibility trial. Journal of Thrombosis and Thrombolysis. 2010 Feb 16;30(2):127–32. doi: 10.1007/s11239-010-0448-6.