1-(3-氯苯基)环己烷-1-羧酸 | 610791-40-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(3-氯苯基)环己烷-1-羧酸
• 英文名称: 1-(3-Chlorophenyl)cyclohexanecarboxylic acid
• 英文别名: 1-(3-chlorophenyl)cyclohexane-1-carboxylic acid
• CAS: 610791-40-7
• 化学式: C₁₃H₁₅ClO₂
• mdl: MFCD08444744
• 分子量: 238.714
• InChiKey: IKAIZSGHPLHGLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  1-(3-氯苯基)环己烷-1-羧酸 在 N-甲基吗啉 、 硼烷四氢呋喃络合物 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-(1-(3-chlorophenyl)cyclohexyl)-N,N-dimethylmethanamine
  参考文献：
  名称：

  Discovery of N-methyl-1-(1-phenylcyclohexyl)methanamine, a novel triple serotonin, norepinephrine, and dopamine reuptake inhibitor

  摘要：

  The current work discloses a novel cyclohexylarylamine chemotype with potent inhibition of the serotonin, norepinephrine, and dopamine transporters and potential for treatment of major depressive disorder. Optimized compounds 1 (SERT, NET, DAT, IC50 = 169, 85, 21 nM) and 42 (SERT, NET, DAT IC50 = 34, 295, 90 nM) were highly brain penetrant, active in vivo in the mouse tail suspension test at 30 mpk po and were not general motor stimulants. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.016
• 作为产物：
  描述：

  间氯氰苄 在 sodium hydride 、 sodium hydroxide 作用下， 以 二甲基亚砜 、 1,3-丙二醇 为溶剂， 生成 1-(3-氯苯基)环己烷-1-羧酸
  参考文献：
  名称：

  Discovery of N-methyl-1-(1-phenylcyclohexyl)methanamine, a novel triple serotonin, norepinephrine, and dopamine reuptake inhibitor

  摘要：

  The current work discloses a novel cyclohexylarylamine chemotype with potent inhibition of the serotonin, norepinephrine, and dopamine transporters and potential for treatment of major depressive disorder. Optimized compounds 1 (SERT, NET, DAT, IC50 = 169, 85, 21 nM) and 42 (SERT, NET, DAT IC50 = 34, 295, 90 nM) were highly brain penetrant, active in vivo in the mouse tail suspension test at 30 mpk po and were not general motor stimulants. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.016

文献信息

• Spirocyclic amides as cannabinoid receptor modulators
  申请人：Hagmann K. William

  公开号：US20050239828A1

  公开（公告）日：2005-10-27

  Novel compounds of structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as psychotropic drugs in the treatment of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinsons disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, the treatment of obesity or eating disorders, as well as, the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, and cirrhosis of the liver.

  结构式（I）的新型化合物是大麻素-1（CB1）受体的拮抗剂和/或反向激动剂，并可用于治疗、预防和抑制由CB1受体介导的疾病。本发明的化合物可用作精神药物，用于治疗精神病、记忆障碍、认知障碍、偏头痛、神经病、神经炎性疾病（包括多发性硬化症和吉兰-巴雷综合征）及病毒性脑炎、脑血管意外和头部创伤的炎症后遗症、焦虑症、压力、癫痫、帕金森氏症、运动障碍和精神分裂症。这些化合物还可用于治疗物质滥用障碍、肥胖症或进食障碍，以及哮喘、便秘、慢性肠假性梗阻和肝硬化的治疗。
• US7423067B2
  申请人：——

  公开号：US7423067B2

  公开（公告）日：2008-09-09
• Discovery of N-methyl-1-(1-phenylcyclohexyl)methanamine, a novel triple serotonin, norepinephrine, and dopamine reuptake inhibitor
  作者：Liming Shao、Michael C. Hewitt、Fengjiang Wang、Scott C. Malcolm、Jianguo Ma、John E. Campbell、Una C. Campbell、Sharon R. Engel、Nancy A. Spicer、Larry W. Hardy、Rudy Schreiber、Kerry L. Spear、Mark A. Varney

  DOI：10.1016/j.bmcl.2011.01.016

  日期：2011.3

  The current work discloses a novel cyclohexylarylamine chemotype with potent inhibition of the serotonin, norepinephrine, and dopamine transporters and potential for treatment of major depressive disorder. Optimized compounds 1 (SERT, NET, DAT, IC50 = 169, 85, 21 nM) and 42 (SERT, NET, DAT IC50 = 34, 295, 90 nM) were highly brain penetrant, active in vivo in the mouse tail suspension test at 30 mpk po and were not general motor stimulants. (C) 2011 Elsevier Ltd. All rights reserved.