CAS: 192726-05-9; (S)-N-((2S,4S,5S)-5-Amino-4-Hydroxy-1,6-Diphenylhexan-2-yl)-3-Methyl-2-(2-Oxotetrahydropyrimidin-1(2H)-yl)Butanamide

英文名称(S)-N-((2S,4S,5S)-5-Amino-4-Hydroxy-1,6-Diphenylhexan-2-yl)-3-Methyl-2-(2-Oxotetrahydropyrimidin-1(2H)-yl)Butanamide
中文名称(S)-N-[(2S,4S,5S)-5-氨基-4-羟基-1,6-二苯基己烷-2-基]-3-甲基-2-(2-氧代四氢嘧啶-1(2H)-基)丁酰胺
IUPAC名称(S)-N-((2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide
CAS编号192726-05-9
MFCD编号:MFCD09952131
FDA UNII编号:395TR49R7C
分子式:C27H38N4O3分子量:466.63
产品CID: 975738
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: PSXHIAOZPOGORP-QORCZRPOSA-N
InChI=1S/C27H38N4O3/c1-19(2)25(31-15-9-14-29-27(31)34)26(33)30-22(16-20-10-5-3-6-11-20)18-24(32)23(28)17-21-12-7-4-8-13-21/h3-8,10-13,19,22-25,32H,9,14-18,28H2,1-2H3,(H,2
计算化学: 氢键受体数4.0氢键供体数4.0可旋转键数11.0

物理性质

沸点762.2±60.0 °C(预测)
闪点414.778 °C
密度1.154±0.06 g/cm3(预测)
pKa:12.58±0.45(预测)
PSA:114.67
LogP:3.5933
折射率1.577
蒸汽压0 mmHg at 25 °C
溶解性Chloroform (Slightly), Methanol (Slightly)
外观形态淡黄色固体

MSDS等安全信息

上下游产品

(S)-N-[(2S,4S,5S)-5-(二苄基氨基)-4-羟基-1,6-二苯基己烷-2-基]-3-甲基-2-(2-氧代四氢嘧啶-1(2H)-基)丁酰胺 (2S,3S,5S)-2-N,N-Dibenzylamino-3-Hydroxy-5-(2S-(2-Oxotetrahydropyrimidin-2-yl)-3-Methylbutanoyl)Amino-1,6-Diphenylhexane 192726-04-8

合成工艺路线路线简述

📜(2S)-(1-四氢嘧啶-2-酮)-3-甲基丁酸置于5%-Palladium/activated Carbon,甲酸铵,N,N'-羰基二咪唑体系中,用甲醇,乙酸乙酯用作溶剂,化学反应 8.0H,反应生成(S)-N-[(2S,4S,5S)-5-氨基-4-羟基-1,6-二苯基己烷-2-基]-3-甲基-2-(2-氧代四氢嘧啶-1(2H)-基)丁酰胺
参考文献:Synthesis And Characterization Of Novel Analogues Of Lopinavir
标题:Synthesis And Characterization Of Novel Analogues Of Lopinavir
摘要:这项工作描述了四种洛匹那韦新颖类似物的鉴定,起源,合成,表征和控制,即洛匹那韦的亮氨酸类似物,异亮氨酸类似物,甲基类似物和二羟基类似物.
Doi:10.14233/ajchem.2021.22954