(1R,2S)-2-(3-Chloro-phenyl)-cyclohexylamine | 911141-79-2

• 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: (1R,2S)-2-(3-Chloro-phenyl)-cyclohexylamine
• 英文别名: (1R,2S)-2-(3-chlorophenyl)cyclohexan-1-amine
• CAS: 911141-79-2
• 化学式: C₁₂H₁₆ClN
• 分子量: 209.719
• InChiKey: OJKRKVFERUHTQM-NWDGAFQWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (1R,2S)-2-(3-Chloro-phenyl)-cyclohexylamine 在 盐酸 、 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， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 C₄₃H₆₃ClN₆O₇
  参考文献：
  名称：

  CDK2/cyclinA inhibitors: Targeting the cyclinA recruitment site with small molecules derived from peptide leads

  摘要：

  The syntheses of potent small molecule inhibitors of the CDK2/cyclinA recruitment site are described. Structure-activity trends of nanomolar octapeptides were examined through amino-acid substitution and truncation of the sequence resulting in the identification of a smaller, albeit significantly less potent, tetrapeptide lead. These losses in affinity were recovered by side-chain optimization and by rigidification of the peptide backbone using a combination of solid-phase parallel synthesis and structure-based design. Finally, two guanidine functionalities were replaced to improve drug-like properties, resulting in neutral small molecules equal in activity to that of the peptide lead. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.004
• 作为产物：
  描述：

  1-chloro-3-((1S,2S)-2-nitrocyclohexyl)benzene 在 碳酸氢钠 、 溶剂黄146 、 锌 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 4.0h， 生成 (1R,2S)-2-(3-Chloro-phenyl)-cyclohexylamine
  参考文献：
  名称：

  CDK2/cyclinA inhibitors: Targeting the cyclinA recruitment site with small molecules derived from peptide leads

  摘要：

  The syntheses of potent small molecule inhibitors of the CDK2/cyclinA recruitment site are described. Structure-activity trends of nanomolar octapeptides were examined through amino-acid substitution and truncation of the sequence resulting in the identification of a smaller, albeit significantly less potent, tetrapeptide lead. These losses in affinity were recovered by side-chain optimization and by rigidification of the peptide backbone using a combination of solid-phase parallel synthesis and structure-based design. Finally, two guanidine functionalities were replaced to improve drug-like properties, resulting in neutral small molecules equal in activity to that of the peptide lead. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.004

文献信息

• Aminocycloalkanes as DPP-IV inhibitors
  申请人：Boehringer Markus

  公开号：US20060135512A1

  公开（公告）日：2006-06-22

  The present invention relates to compounds of formula (I) wherein R 1 is as defined in the description and claims, and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prophylaxis of diseases which are associated with DPP-IV, such as diabetes, particularly non-insulin dependent diabetes mellitus, and impaired glucose tolerance.

  本发明涉及式(I)的化合物，其中R1如描述和权利要求中定义的那样，并且其药学上可接受的盐。这些化合物可用于治疗和/或预防与DPP-IV相关的疾病，如糖尿病，特别是非胰岛素依赖型糖尿病和糖耐量受损。
• CYCLOALKYLAMINE DERIVATIVES
  申请人：F. Hoffmann-Roche AG

  公开号：EP1833782A1

  公开（公告）日：2007-09-19
• JP2008524279A
  申请人：——

  公开号：JP2008524279A

  公开（公告）日：2008-07-10
• シクロアルキルアミン誘導体
  申请人：エフ.ホフマン−ラ ロシュ アーゲー

  公开号：JP4666533B2

  公开（公告）日：2008-07-10
• US7411093B2
  申请人：——

  公开号：US7411093B2

  公开（公告）日：2008-08-12