4-[1-(1H-benzotriazole-5-carbonyl)-piperidin-4-yl]-piperazine-1-carboxylic acid 3-(4-chloro-phenyl)-2-oxo-oxazolidin-5-ylmethyl ester | 1248730-38-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-[1-(1H-benzotriazole-5-carbonyl)-piperidin-4-yl]-piperazine-1-carboxylic acid 3-(4-chloro-phenyl)-2-oxo-oxazolidin-5-ylmethyl ester
• 英文别名: [3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate
• CAS: 1248730-38-2
• 化学式: C₂₇H₃₀ClN₇O₅
• 分子量: 568.032
• InChiKey: DYDISXXZFUUMDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  124
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Piperidine and piperazine derivatives as autotaxin inhibitors
  申请人：Merck Patent GmbH

  公开号：EP2414330B1

  公开（公告）日：2013-05-01
• PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS
  申请人：Schiemann Kai

  公开号：US20120059016A1

  公开（公告）日：2012-03-08

  The present invention relates to piperidine and pyrazine derivatives according to formulae (Ia), (Ib) and (II) as autotaxin inhibitors and the use of such compounds for the treatment and/or prophylaxis of physiological and/or pathophysiological conditions, which are caused, mediated and/or propagated by increased lysophosphatic acid levels and/or the activation of autotaxin, in particular of different cancers.
• US20140343075A1
  申请人：——

  公开号：US20140343075A1

  公开（公告）日：2014-11-20
• US8822476B2
  申请人：——

  公开号：US8822476B2

  公开（公告）日：2014-09-02
• US9452997B2
  申请人：——

  公开号：US9452997B2

  公开（公告）日：2016-09-27