CAS: 1353049-81-6; Methyl 2-((4R,6R)-6-(2-(2-(4-Fluorophenyl)-5-Isopropyl-3-Phenyl-4- (Phenylcarbamoyl)-1H-Pyrrol-1-yl)Ethyl)-2,2-Dimethyl-1,3-Dioxan-4- Yl)Acetate

英文名称Methyl 2-((4R,6R)-6-(2-(2-(4-Fluorophenyl)-5-Isopropyl-3-Phenyl-4- (Phenylcarbamoyl)-1H-Pyrrol-1-yl)Ethyl)-2,2-Dimethyl-1,3-Dioxan-4- Yl)Acetate
中文名称阿托伐他汀钙杂质60
CAS编号1353049-81-6
FDA UNII编号:G44XQM7FTC
分子式:C37H41FN2O5分子量:612.73
产品CID: 541518
产品分类有机原料→分子砌块→芳杂环类化合物→吡咯类化合物

相似结构搜索
InChIKey: BAFAFJRQDLTQHZ-LOYHVIPDSA-N
1S/C37H41FN2O5/c1-24(2)34-33(36(42)39-28-14-10-7-11-15-28)32(25-12-8-6-9-13-25)35(26-16-18-27(38)19-17-26)40(34)21-20-29-22-30(23-31(41)43-5)45-37(3,4)44-29/h6-19,24,29-3
计算化学: 氢键受体数6.0氢键供体数1.0可旋转键数10.0

相似化合物

125971-95-1 581772-29-4 616201-27-5

MSDS等安全信息

上下游产品

methanol tert-butyl (4R,6R)-6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxane-4-acetate methyl 2-(6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic acid phenylamide2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid 3,3-dimethyl-5,6-bis (nitrooxy)hexyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate (3R,5R)-3,3-dimethyl-5,6-bis(nitrooxy)hexyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate (3R,5R)-methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

合成工艺路线路线简述

合成目标产物 Methyl 2-((4R,6R)-6-(2-(2-(4-Fluorophenyl)-5-Isopropyl-3-Phenyl-4- (Phenylcarbamoyl)-1H-Pyrrol-1-yl)Ethyl)-2,2-Dimethyl-1,3-Dioxan-4- Yl)Acetate 主要起始原料 2,2-Dimethoxypropane And Atorvastatin Methyl Ester
(文献来源)合成步骤主要原料 2,2-Dimethoxypropane 和 Atorvastatin Methyl Ester

📜Lipitor置于硫酸,对甲苯磺酸体系中,用二氯甲烷用作溶剂,化学反应 4.0H,反应生成阿托伐他汀钙阿托伐他汀钙中间体1甲酯
参考文献:阿托伐他汀酯类药物的合成和评价,该药为人羧酸酯酶代谢激活的药物
标题:阿托伐他汀酯类药物的合成和评价,该药为人羧酸酯酶代谢激活的药物
摘要:我们以中等至高收率合成了11种具有阿托伐他汀酯化羧酸部分的前药.我们发现,它们通过人类羧酸酯酶1(ces1)同工酶特别地经历了代谢激活.结果表明,阿托伐他汀的这些酯化合物具有在体内充当前药的潜力.
Doi:10.1016/j.Bmcl.2015.12.069