CAS: 111188-70-6; Diltiazem Epimer

该化合物是一个复杂的有机化合物,其独特的双环结构包含苯并氮聚苯乙烯核心;该化合物的特点是一个甲基氧联苯基组和一个乙酰氧替代体,有助于其潜在的生物活动;二甲基氨基组的存在表明它可能与...

英文名称Diltiazem Epimer
中文名称地尔硫卓杂质
IUPAC名称(2S,3R)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate
其它别名1,5-Benzothiazepin-4(5H)-One, 3-(Acetyloxy)-5-[2-(Dimethylamino)Ethyl]-2,3-Dihydro-2-(4-Methoxyphenyl)-, (2S,3R)-; (2S,3R)-5-(2-(Dimethylamino)Ethyl)-; Diltiazem Epimer; Diltiazem Impurity 15; (2S,3R)-5-(2-(Dimethylamino)Ethyl)-2-(4-Methoxyphenyl)-4-Oxo-2,3,4,5-Tetrahydrobenzo[b][1,4]Thiazepin-3-Yl Acetate; 1,5-Benzothiazepin-4(5H)-One, 3-(Acetyloxy)-5-[2-(Dimethylamino)Ethyl]-2,3-Dihydro-2-(4-Methoxyphenyl)-, (2S-Trans)-
CAS编号111188-70-6
分子式:C22H26N2O4S分子量:414.53
产品CID: 148558
产品分类有机原料→分子砌块→芳杂环类化合物→其它芳杂环类化合物

相似结构搜索
InChIKey: HSUGRBWQSSZJOP-SFTDATJTSA-N
InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21-/m0/s1
计算化学: 氢键受体数6.0氢键供体数0可旋转键数6

相似化合物

130606-60-9 42399-40-6 42399-54-2

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H315-H319-H335
防范说明P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501

上下游产品

-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one(2S,3R)-5-2-(dimethylamino)ethyl-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetic anhydride (+/-)-trans-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one (-)-trans-(2S,3R)-2,3-dihydro-3-hydroxy-2-(4'-methoxyphenyl)-1,5-benzothiazepin-4-[5H]-one c-acetoxy-2r-(4-methoxy-phenyl)-4-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazepin-5-yl]-ethyl}-ethyl-dimethyl-ammonium; bromide{2-[3c-acetoxy-2r-(4-methoxy-phenyl)-4-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazepin-5-yl]-ethyl}-ethyl-dimethyl-ammonium; bromide c-acetoxy-2r-(4-methoxy-phenyl)-4-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazepin-5-yl]-ethyl}-dimethyl-propyl-ammonium; bromide{2-[3c-acetoxy-2r-(4-methoxy-phenyl)-4-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazepin-5-yl]-ethyl}-dimethyl-propyl-ammonium; bromide c-acetoxy-2r-(4-methoxy-phenyl)-4-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazepin-5-yl]-ethyl}-trimethyl-ammonium; iodide{2-[3c-acetoxy-2r-(4-methoxy-phenyl)-4-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazepin-5-yl]-ethyl}-trimethyl-ammonium; iodide diltiazem

合成工艺路线路线简述

📜(+/-)-Trans-2,3-Dihydro-3-Hydroxy-2-(4-Methoxyphenyl)-1,5-Benzothiazepin-4(5H)-One置于吡啶,Potassium Carbonate体系中,用甲醇,水,丙酮用作溶剂,化学反应 11.5H,反应生成地尔硫卓肾上腺素
参考文献:Synthesis Of The Optically Active Trans-Isomers Of Diltiazem And Their Cardiovascular Effects And Ca-Antagonistic Activity.
标题:Synthesis Of The Optically Active Trans-Isomers Of Diltiazem And Their Cardiovascular Effects And Ca-Antagonistic Activity.
摘要:研究人员合成了具有光学活性的地尔硫卓反式异构体,并在麻醉犬和离体豚鼠心脏中评估了它们对心血管的影响.它们之间的对映体活性差异不大.通过 X 射线晶体学分析,确定 (+)-2 的绝对立体化学结构为 2R,3S.
Doi:10.1248/cpb.40.1476