4-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)butanoic acid | 1104490-80-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 4-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)butanoic acid
• 英文别名: 4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid
• CAS: 1104490-80-3
• 化学式: C₂₂H₂₅ClN₂O₃
• 分子量: 400.905
• InChiKey: YTDWKPSJWUXUKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  69.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  Methyl 4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoate 在 水 、 lithium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以90%的产率得到4-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)butanoic acid
  参考文献：
  名称：

  Discovery of 3,3-disubstituted piperidine-derived trisubstituted ureas as highly potent soluble epoxide hydrolase inhibitors

  摘要：

  3,3-Disubstituted piperidine-derived trisubstituted urea entA-2b was discovered as a highly potent and selective soluble epoxide hydrolase (sEH) inhibitor. Despite the good compound oral exposure, excellent sEH inhibition in whole blood, and remarkable selectivity, compound entA-2b failed to lower blood pressure acutely in spontaneously hypertensive rats (SHRs). This observation further challenges the premise that sEH inhibition can provide a viable approach to the treatment of hypertensive patients. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.138

文献信息

• SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT
  申请人：Colletti Steven L.

  公开号：US20100197691A1

  公开（公告）日：2010-08-05

  Compounds of the Formula: (I) as well as pharmaceutically acceptable salts and hydrates thereof, that are useful for treating hypertension, diabetes, inflammation, atherosclerosis, pain, and the like are disclosed. Pharmaceutical compositions and methods of use are also included.
• US8455520B2
  申请人：——

  公开号：US8455520B2

  公开（公告）日：2013-06-04
• [EN] SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT<br/>[FR] INHIBITEURS ÉPOXYDE HYDROLASE SOLUBLES, COMPOSITIONS CONTENANT DE TELS COMPOSÉS ET PROCÉDÉS DE TRAITEMENT
  申请人：MERCK & CO INC

  公开号：WO2009011872A1

  公开（公告）日：2009-01-22

  Compounds of the Formula: (I) as well as pharmaceutically acceptable salts and hydrates thereof, that are useful for treating hypertension, diabetes, inflammation, atherosclerosis, pain, and the like are disclosed. Pharmaceutical compositions and methods of use are also included.