1,1a(2)-[(1R,2R)-1,2-Bis[(2-propenylamino)carbonyl]-1,2-ethanediyl] bis[4-(1,1-dimethylethyl)benzoate] | 170744-22-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,1a(2)-[(1R,2R)-1,2-Bis[(2-propenylamino)carbonyl]-1,2-ethanediyl] bis[4-(1,1-dimethylethyl)benzoate]
• 英文别名: [(2R,3R)-3-(4-tert-butylbenzoyl)oxy-1,4-dioxo-1,4-bis(prop-2-enylamino)butan-2-yl] 4-tert-butylbenzoate
• CAS: 170744-22-6
• 化学式: C₃₂H₄₀N₂O₆
• 分子量: 548.7
• InChiKey: GCEPSNAJKGQLFQ-CLJLJLNGSA-N

物化性质

• 熔点：
  197-200°C

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  40
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• HIV PROTEASE INHIBITORS
  申请人：Coburn Craig A.

  公开号：US20100093811A1

  公开（公告）日：2010-04-15

  Compounds of Formula I are disclosed: (I), wherein X A , k, R 1 , R 2 , R 3 , R 4 , R 5 , R 5A , R 6 , R 6A , R 7 and R 8 are defined herein. The compounds encompassed by Formula I include compounds which are HIV protease inhibitors and other compounds which can be metabolized in vivo to HIV protease inhibitors. The compounds and their pharmaceutically acceptable salts are useful for the prophylaxis or treatment of infection by HIV and the prophylaxis, treatment, or delay in the onset of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  公开了化学式I的化合物：(I)，其中XA、k、R1、R2、R3、R4、R5、R5A、R6、R6A、R7和R8的定义如下所述。公式I所包含的化合物包括HIV蛋白酶抑制剂和其他可以在体内代谢成为HIV蛋白酶抑制剂的化合物。这些化合物及其药学上可接受的盐对于预防或治疗HIV感染以及预防、治疗或延迟AIDS的发生都是有用的。这些化合物及其盐可以作为药物组合中的成分，可选择与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。
• NEW PROCESS FOR PREPARING AN OPTICALLY PURE 2-MORPHINOL DERIVATIVE
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1678150A1

  公开（公告）日：2006-07-12
• New process for preparing an optically pure 2-morpholinol derivative
  申请人：Adam Philippe

  公开号：US20070123533A1

  公开（公告）日：2007-05-31

  The present invention relates to a process for preparing optically pure (+)-(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol and pharmaceutically acceptable salts and solvates from a mixture of (+)-(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol and (−)-(2R,3R)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol. The process utilizes continuous chromatography, including techniques like Multi Column Chromatography (MCC), VARICOL, and Cyclojet.
• US7265106B2
  申请人：——

  公开号：US7265106B2

  公开（公告）日：2007-09-04
• [EN] NEW PROCESS FOR PREPARING AN OPTICALLY PURE 2-MORPHINOL DERIVATIVE<br/>[FR] NOUVEAU PROCEDE D'ELABORATION DE 2-MORPHINOL OPTIQUEMENT PUR
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2005040140A1

  公开（公告）日：2005-05-06

  The present invention relates to a process for preparing optically pure (+)-(2S, 3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol and pharmaceutically acceptable salts and solvates from a mixture of (+)-(2S, 3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol and (-)-(2R, 3R)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol. The process utilizes continuous chromatography, including techniques like Multi Column Chromatography (MCC), VARICOL, and Cyclojet.