2-[(4'-chloro[1,1'-biphenyl]-4-yl)carbonyl]-5-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-cyclopentanecarboxylic acid

• 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: 2-[(4'-chloro[1,1'-biphenyl]-4-yl)carbonyl]-5-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-cyclopentanecarboxylic acid
• 英文别名: (2S,5R)-2-[4-(4-chlorophenyl)benzoyl]-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclopentane-1-carboxylic acid
• 化学式: C₂₇H₂₂ClN₃O₄
• 分子量: 487.942
• InChiKey: IZELHWKNGUMVAY-XUPADYDASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  99.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-trimethylsilylethyl (2S,5R)-2-[4-(4-chlorophenyl)benzoyl]-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclopentane-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以90%的产率得到2-[(4'-chloro[1,1'-biphenyl]-4-yl)carbonyl]-5-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-cyclopentanecarboxylic acid
  参考文献：
  名称：

  INHIBITION OF MATRIX METALLOPROTEASES BY SUBSTITUTED BIARYL OXOBUTYRIC ACIDS

  摘要：

  公开号：

  EP0923530B1

文献信息

• Role of Proteoglycans in Drug Dependence
  申请人：Sanna Pietro P.

  公开号：US20100199361A1

  公开（公告）日：2010-08-05

  The invention provides methods of preventing or treating drug addiction, or ameliorating the craving for an addictive drug, as well as compounds, peptides, and pharmaceutical compositions that may be used to prevent or treat drug addiction or ameliorate the craving for an addictive drug. The invention also provides methods for identifying agents that may be used to prevent or treat drug addiction, or ameliorate the craving for an addictive drug.
• ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE
  申请人：SANNA Pietro P.

  公开号：US20120174240A1

  公开（公告）日：2012-07-05

  The invention provides methods of preventing or treating drug addiction, or ameliorating the craving for an addictive drug, as well as compounds, peptides, and pharmaceutical compositions that may be used to prevent or treat drug addiction or ameliorate the craving for an addictive drug. The invention also provides methods for identifying agents that may be used to prevent or treat drug addiction, or ameliorate the craving for an addictive drug.
• US8119854B2
  申请人：——

  公开号：US8119854B2

  公开（公告）日：2012-02-21
• US8847003B2
  申请人：——

  公开号：US8847003B2

  公开（公告）日：2014-09-30