2,2-dimethyl-3-{4-[7-methyl-2-(trifluoromethyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-yl]piperazin-1-yl}propanoic acid | 1392837-92-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2,2-dimethyl-3-{4-[7-methyl-2-(trifluoromethyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-yl]piperazin-1-yl}propanoic acid
• 英文别名: 2,2-dimethyl-3-[4-[2-methyl-8-(trifluoromethyl)-11H-pyrrolo[2,1-c][1,4]benzodiazepin-6-yl]piperazin-1-yl]propanoic acid
• CAS: 1392837-92-1
• 化学式: C₂₃H₂₇F₃N₄O₂
• 分子量: 448.488
• InChiKey: TZEMMHCBSPAZDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• SUBSTITUTED [(5H-PYRROLO[2,1-c][1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS
  申请人：CAMP Anne Marie

  公开号：US20120202797A1

  公开（公告）日：2012-08-09

  A dual H1/5-HT 2A receptor antagonist of the formula: its uses, and methods for its preparation are described.

  一种双重H1/5-HT2A受体拮抗剂的公式、用途和制备方法被描述。
• SUBSTITUTED [(5H-PYRROLO[2,1-c] [1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS
  申请人：Eli Lilly and Company

  公开号：EP2683719B1

  公开（公告）日：2015-03-18
• VINYL ESTER PRODUCTION FROM ACETYLENE AND CARBOXYLIC ACID UTILIZING HOMOGENEOUS CATALYST
  申请人：Kimmich Barbara F.M.

  公开号：US20120203025A1

  公开（公告）日：2012-08-09

  A process for the selective production of vinyl ester by the reaction of a carboxylic acid with acetylene with a homogeneous catalyst is disclosed and claimed. In one aspect, esters of neoacids are provided.
• US8314092B2
  申请人：——

  公开号：US8314092B2

  公开（公告）日：2012-11-20
• US8536367B2
  申请人：——

  公开号：US8536367B2

  公开（公告）日：2013-09-17