CAS: 1644461-85-7; (1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-Difluorophenyl)Cyclopropyl)Amino)-5-(Propylsulfinyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-yl)-5-(2-Hydroxyethoxy)Cyclopentane-1,2-Diol

该化合物是一种用于抗血清疗法的板状聚合抑制剂,该化合物通过Ticagrelor氧化形成,由于手工业硫化中心而作为异丙酯混合体存在,其高纯度和精密结构使药物研发具有价值,特别是在涉及代谢路径和杂质特征分析的研究中.该产品经过严格测试,以确保一致性,使之适合分析参考标准和药物制造工艺优化.建议适当的处理和储存以维持稳定.

英文名称(1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-Difluorophenyl)Cyclopropyl)Amino)-5-(Propylsulfinyl)-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 05
IUPAC名称(1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-5-(propylsulfinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
其它别名Ticagrelor Sulfoxide; Ticagrelor Sulfoxide Impurity (Mixture Of Diastereomers); Ticagrelor Sulfoxide (Mixture Of Diastereomers); (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)Cyclopropyl]Amino]-5-Propylsulfinyltriazolo[4,5-D]Pyrimidin-3-Yl]-5-(2-Hydroxyethoxy)Cyclopentane-1,2-Diol; (1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-Difluorophenyl)Cyclopropyl)Amino)-5-(Propylsulfinyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-Yl)-5-(2-Hydroxyethoxy)Cyclopentane-1,2-Dio; Ticagrelor Impurity F: Sulfoxide Impurity; (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)Cyclopropyl]Amino]-5-(Propylsulfinyl)-3H-1,2,3-Triazolo[4,5-D]Pyrimidin-3-Yl]-5-(2-Hydroxyethoxy)-1,2-Cyclopentanediol; Ticagrelor Impurity 24/(1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-Difluorophenyl)Cyclopropyl)Amino)-5-(Propylsulfinyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-Yl)-5-(2-Hydroxyethoxy)Cyclopentane-1,2-Diol
CAS编号1644461-85-7
MFCD编号:MFCD25977313
FDA UNII编号:P4AQ99C6JC
分子式:C23H28F2N6O5S
分子量:538.58
产品CID: 835774
产品分类有机原料 → 有机杂环化合物

相似结构搜索
InChIKey: DXFXDCXSENDSIK-LJCGIFJESA-N
InChI=1S/C23H28F2N6O5S/c1-2-7-37(35)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(36-6-5-32)20(34)19(16)33…
计算化学: 氢键受体数13.0氢键供体数4.0可旋转键数10.0

物理性质

熔点206-208°C
沸点821.3±75.0 °C at 760 mmHg
闪点450.5±37.1 °C
密度1.8±0.1 g/cm3
pKa:13.25±0.70(预测)
LogP:-1.81
折射率1.770
蒸汽压0.0±3.1 mmHg at 25°C
溶解性DMSO (Slightly), Methanol (Slightly, Heated)
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
产品应用该化合物用于治疗急性冠状综合症(ACS) .

上下游产品

(1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine 2-{[(3aR,4S,6R,6aR)-6-[7-chloro-5-propylthio-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-hexahydr°Cyclopenta[1,3]dioxol-4-yl]oxy}ethanol 2-[((3aR,4S,6R,6aS)-6-[[5-amino-6-chloro-2-(propylsulfanyl)-4-pyrimidinyl]amino]-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy]-1-ethanol 2-({(3aR,4S,6R,6aS)-6-[7-chloro-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-3-yl]-2,2-dimethyltetrahydro-3aH-cyclopentadiene[d][1,3]dioxolene-4-yl}oxy)ethanol

合成工艺路线路线简述

(1R,2S)-2-(3,4-二氟苯基)环丙胺,2-{[(3Ar,4S,6R,6Ar)-6-[7-Chloro-5-Propylthio-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-Yl]-2,2-Dimethyl-Hexahydrocyclopenta[1,3]Dioxol-4-Yl]Oxy}Ethanol置于间氯过氧苯甲酸,D-扁桃酸,Potassium Carbonate,盐酸体系中,用甲苯,水,甲醇用作溶剂,化学反应 7.0H,反应生成替格瑞洛杂质i,替格瑞洛杂质
参考文献:Cn105237540
标题:Cn105237540