CAS: 764659-79-2; (2S,5R)-(1S,2R,5S)-2-Isopropyl-5-Methylcyclohexyl 5-(4-Amino-5-Fluoro-2-Oxopyrimidin-1(2H)-yl)-1,3-Oxathiolane-2-Carboxylate

该化合物是Lamivdine的一种专门的手性衍生物,含有氟替代物和D-menthol ester,这种改变提高了其亲脂性和潜在生物利用率,使其成为制药研究的宝贵中间体,特别是核糖类类似开发的中间体.氟替代可以提高代谢稳定性和紧凑性,而D-menthol 酯组则有利于控制释放或定向交付.其立体化学纯度确保合成应用的一贯性能.该化合物主要用于临床前研究,以探索结构-活动关系,优化抗病毒或抗癌治疗.建议由于敏感性,在惰性条件下进行适当处理.

英文名称(2S,5R)-(1S,2R,5S)-2-Isopropyl-5-Methylcyclohexyl 5-(4-Amino-5-Fluoro-2-Oxopyrimidin-1(2H)-yl)-1,3-Oxathiolane-2-Carboxylate
中文名称5-氟ent-拉米夫定酸D-薄荷醇酯
IUPAC名称(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl (2S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
其它别名5-Fluoro Ent-Lamivudine Acid D-Menthol Ester; Emtricitabine Impurity 8/5-Fluoro Ent-Lamivudine Acid D-Menthol Ester/(2S,5R)-5-(4-Amino-5-Fluoro-2-Oxo-1(2H)-Pyrimidinyl)-1,3-Oxathiolane-2-Carboxylic Acid (1S,2R,5S)-5-Methyl-2-(1-Methylethyl)Cyclohexyl Ester; (2S,5R)-(1S,2R,5S)-2-Isopropyl-5-Methylcyclohexyl 5-(4-Amino-5-Fluoro-2-Oxopyrimidin-1(2H)-yl)-1,3-Oxathiolane-2-Carboxylate; (5S)-(1R,2S,5R)-2-Isopropyl-5-Methylcyclohexyl 5-(4-Amino-5-Fluoro-2-Oxopyrimidin-1(2H)-yl)-1,3-Oxathiolane-2-Carboxylate; Emtricitabine Impurity V; (5S)-(1R,2S,5R)-2-Isopropyl-5-Methylcyclohexyl 5-(4-Amino-5-Fluoro-2-Oxopyrimidin-1(2H)-yl)-1; 1,3-Oxathiolane-2-Carboxylic Acid, 5-(4-Amino-5-Fluoro-2-Oxo-1(2H)-Pyrimidinyl)-, (1S,2R,5S)-5-Methyl-2-(1-Methylethyl)Cyclohexyl Ester, (2S,5R)-; (1S,2R,5S)-2-Isopropyl-5-Methylcyclohexyl (2S,5R)-5-(4-Amino-5-Fluoro-2-Oxopyrimidin-1(2H)-yl)-1,3-Oxathiolane-2-Carboxylate
CAS编号764659-79-2
MFCD编号:MFCD28144933
分子式:C18H26FN3O4S分子量:399.49
产品CID: 1756736
产品分类Chemistry → Organic Building Blocks → Amines | Chemistry → Asymmetric Synthesis → Chiral Building Blocks | Esters | Fluorinated Building Blocks | Amides | Pyrimidines

相似结构搜索
InChIKey: AUTCQXVTOIJYOT-GZKBPPOVSA-N
InChI=1S/C18H26FN3O4S/c1-9(2)11-5-4-10(3)6-13(11)25-16(23)17-26-14(8-27-17)22-7-12(19)15(20)21-18(22)24/h7,9-11,13-14,17H,4-6,8H2,1-3H3,(H2,20,21,24)/t10-,11+,13-,14+,17-
计算化学: 氢键受体数7.0氢键供体数2.0可旋转键数5.0

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P280-P301+P312-P302+P352-P305+P351+P338
安全声明H303+H313+H333

上下游产品

(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (2R,5S)-5-(methylcarbonyloxy)-1,3-oxathiolane-2-carboxylate 2-trimethylsilyloxy-4-trimethylsilylamino-5-fluoropyrimidine 5S-chloro-[1,3]oxathiolane-2R-carboxilic acid 2-(1'R,2'S,5'R)-isopropyl-5-methyl-cyclohexyl ester Flucytosine