(1S,3S)-N-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine | 860297-17-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (1S,3S)-N-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
• 英文别名: (1S,3S)-1-N-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
• CAS: 860297-17-2
• 化学式: C₁₇H₂₃N₃O
• 分子量: 285.389
• InChiKey: HOVYVEHCGNPVCR-STQMWFEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  60.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1S,3S)-N-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine 、 2,1,3-苯并噻二唑-5-甲醛 在 溶剂黄146 作用下， 生成 (1S,3S)-N1-(benzo[c][1,2,5]thiadiazol-5-ylmethyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
  参考文献：
  名称：

  Discovery of cyclopentane- and cyclohexane-trans-1,3-diamines as potent melanin-concentrating hormone receptor 1 antagonists

  摘要：

  We herein report the optimization of cyclopentane- and cyclohexane-1,3-diamine derivatives as novel and potent MCH-R I antagonists. Structural modifications of the 2-amino-quinoline and thiophene moieties found in the initial lead compound served to improve its metabolic stability profile and MCH-RI affinity, and revealed unprecedented SAR when compared to other 2-aminoquinoline-containing NICH-R1 antagonists. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.034
• 作为产物：
  描述：

  benzyl {(1S,3S)-3-[benzyloxycarbonyl-(7-methoxy-4-methylquinolin-2-yl)amino]cyclohexyl}carbamate 在 钯 氢气 、 Si 、 甲醇乙酸乙酯 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以to yield 0.047 g (90%) of the title compound的产率得到(1S,3S)-N-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
  参考文献：
  名称：

  Therapeutic agents I

  摘要：

  化合物的公式(I)，制备这些化合物的过程，它们在治疗肥胖症、精神障碍、认知障碍、记忆障碍、精神分裂症、癫痫和相关疾病以及神经系统疾病如痴呆、多发性硬化症、帕金森病、亨廷顿舞蹈症和阿尔茨海默病以及与疼痛有关的疾病中的应用，以及含有它们的制药组合物。

  公开号：

  US20070185079A1

文献信息

• [EN] THERAPEUTIC AGENTS I<br/>[FR] AGENTS THERAPEUTIQUES I
  申请人：ASTRAZENECA AB

  公开号：WO2005066132A1

  公开（公告）日：2005-07-21

  Compounds of formula(I), processes for preparing such compounds, their use in the treatment of obesity, psychiatric disorders, cognitive disorders, memory disorders, schizophrenia, epilepsy, and related conditions, and neurological disorders such as dementia, multiple sclerosis, Parkinson's disease, Huntington's chorea and Alzheimer's disease and pain related disorders, and pharmaceutical compositions containing them.

  化合物的化学式(I)，制备这种化合物的方法，它们在治疗肥胖、精神障碍、认知障碍、记忆障碍、精神分裂症、癫痫以及相关疾病，以及神经系统疾病如痴呆症、多发性硬化症、帕金森病、亨廷顿舞蹈症、阿尔茨海默病和与疼痛相关的疾病中的应用，以及含有它们的药物组合物。
• Therapeutic agents I
  申请人：Evertsson Emma

  公开号：US20070185079A1

  公开（公告）日：2007-08-09

  Compounds of formula(I), processes for preparing such compounds, their use in the treatment of obesity, psychiatric disorders, cognitive disorders, memory disorders, schizophrenia, epilepsy, and related conditions, and neurological disorders such as dementia, multiple sclerosis, Parkinson's disease, Huntington's chorea and Alzheimer's disease and pain related disorders, and pharmaceutical compositions containing them.

  化合物的公式(I)，制备这些化合物的过程，它们在治疗肥胖症、精神障碍、认知障碍、记忆障碍、精神分裂症、癫痫和相关疾病以及神经系统疾病如痴呆、多发性硬化症、帕金森病、亨廷顿舞蹈症和阿尔茨海默病以及与疼痛有关的疾病中的应用，以及含有它们的制药组合物。
• Discovery of cyclopentane- and cyclohexane-trans-1,3-diamines as potent melanin-concentrating hormone receptor 1 antagonists
  作者：Fabrizio Giordanetto、Olle Karlsson、Jan Lindberg、Lars-Olof Larsson、Anna Linusson、Emma Evertsson、David G.A. Morgan、Tord Inghardt

  DOI：10.1016/j.bmcl.2007.05.034

  日期：2007.8

  We herein report the optimization of cyclopentane- and cyclohexane-1,3-diamine derivatives as novel and potent MCH-R I antagonists. Structural modifications of the 2-amino-quinoline and thiophene moieties found in the initial lead compound served to improve its metabolic stability profile and MCH-RI affinity, and revealed unprecedented SAR when compared to other 2-aminoquinoline-containing NICH-R1 antagonists. (c) 2007 Elsevier Ltd. All rights reserved.