1-[(4-Chlorophenyl)methyl]piperidin-3-amine | 226249-34-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-[(4-Chlorophenyl)methyl]piperidin-3-amine
• CAS: 226249-34-9
• 化学式: C₁₂H₁₇ClN₂
• 分子量: 224.733
• InChiKey: RBIAOZNQZOGXTE-UHFFFAOYSA-N

物化性质

• 沸点：
  311.6±37.0 °C(Predicted)
• 密度：
  1.150±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-苯甲酰基-beta-丙氨酸 、 1-[(4-Chlorophenyl)methyl]piperidin-3-amine 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 作用下， 生成 N-{2-[1-(4-Chloro-benzyl)-piperidin-3-ylcarbamoyl]-ethyl}-benzamide
  参考文献：
  名称：

  Small molecule antagonists of the CCR2b receptor. Part 2: Discovery process and initial structure–activity relationships of diamine derivatives

  摘要：

  Structure-activity relationships (SAR) of a weakly active class of CCR2b inhibitors were utilized to initiate a ead evolution program employing the Drug Discovery Engine(TM). Several alternative structural series have been discovered that display nanomolar activity in the CCR2b binding and CCR2b-mediated chemotaxis assays. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.009
• 作为产物：
  描述：

  1-(4-Chloro-benzyl)-3-isocyanato-piperidine 在 盐酸 作用下， 生成 1-[(4-Chlorophenyl)methyl]piperidin-3-amine
  参考文献：
  名称：

  Small molecule antagonists of the CCR2b receptor. Part 2: Discovery process and initial structure–activity relationships of diamine derivatives

  摘要：

  Structure-activity relationships (SAR) of a weakly active class of CCR2b inhibitors were utilized to initiate a ead evolution program employing the Drug Discovery Engine(TM). Several alternative structural series have been discovered that display nanomolar activity in the CCR2b binding and CCR2b-mediated chemotaxis assays. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.009

文献信息

• Cyclic amine derivatives and their use as drugs
  申请人：TEIJIN LIMITED

  公开号：EP1535909A2

  公开（公告）日：2005-06-01

  A compound represented by general formula (I), a pharmaceutically acceptable acid addition salt thereof or a pharmaceutically acceptable C1-C6 alkyl addition salt thereof, and their medical applications. Since these compounds inhibit the action of chemokines such as MIP-1α and/or MCP-1 on target cells, they may be useful as a therapeutic drug and/or preventative drug in diseases, such as atherosclerosis, rheumatoid arthritis, and the like where blood monocytes and lymphocytes infiltrate into tissues.

  通式（I）代表的化合物、其药学上可接受的酸加成盐或其药学上可接受的 C1-C6 烷基加成盐及其医学应用。由于这些化合物可抑制 MIP-1α 和/或 MCP-1 等趋化因子对靶细胞的作用，因此可用作动脉粥样硬化、类风湿性关节炎等血液中单核细胞和淋巴细胞渗入组织的疾病的治疗药物和/或预防药物。
• REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES
  申请人：TEIJIN LIMITED

  公开号：EP1179341B1

  公开（公告）日：2005-11-09
• US6362177B1
  申请人：——

  公开号：US6362177B1

  公开（公告）日：2002-03-26
• US6410566B1
  申请人：——

  公开号：US6410566B1

  公开（公告）日：2002-06-25
• US6451842B1
  申请人：——

  公开号：US6451842B1

  公开（公告）日：2002-09-17