1-(1,5-dimethyl-3-azabicyclo[3.1.0]hex-3-yl)-3-(2-benzyloxy-5-methylphenyl)-3-phenyl propane | 659745-71-8

• 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: 1-(1,5-dimethyl-3-azabicyclo[3.1.0]hex-3-yl)-3-(2-benzyloxy-5-methylphenyl)-3-phenyl propane
• 英文别名: 1,5-Dimethyl-3-[3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropyl]-3-azabicyclo[3.1.0]hexane
• CAS: 659745-71-8
• 化学式: C₃₀H₃₅NO
• 分子量: 425.614
• InChiKey: LYPDKARLUOPFRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(1,5-dimethyl-3-azabicyclo[3.1.0]hex-3-yl)-3-(2-benzyloxy-5-methylphenyl)-3-phenyl propane 在 palladium on activated charcoal 氢气 作用下， 生成 1-(1,5-dimethyl-3-azabicyclo[3.1.0]hex-3-yl)-3-(2-hydroxy-5-methylphenyl)-3-phenyl propane
  参考文献：
  名称：

  Design, synthesis and activity of novel derivatives of Oxybutynin and Tolterodine

  摘要：

  Novel derivatives of Tolterodine (1) and Oxybutynin (2) have been designed using conformationally restricted azabicyclics as replacement for open-chain amines. The synthesis and structure-activity relationships are presented. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.036
• 作为产物：
  描述：

  3-(2-benzyloxy-5-methylphenyl)-3-phenylpropyl-p-toluene sulphonate 、 1,5-Dimethyl-3-azabicyclo<3.1.0>hexane hydrochloride 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 1-(1,5-dimethyl-3-azabicyclo[3.1.0]hex-3-yl)-3-(2-benzyloxy-5-methylphenyl)-3-phenyl propane
  参考文献：
  名称：

  Design, synthesis and activity of novel derivatives of Oxybutynin and Tolterodine

  摘要：

  Novel derivatives of Tolterodine (1) and Oxybutynin (2) have been designed using conformationally restricted azabicyclics as replacement for open-chain amines. The synthesis and structure-activity relationships are presented. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.036

文献信息

• 3,6-Disubstituted azabicyclo [3.1.0] hexane derivatives useful as muscarinic receptor
  申请人：Mehta Anita

  公开号：US20060142371A1

  公开（公告）日：2006-06-29

  This invention generally relates to the derivatives of 3,6 disubstituted azabicyclo[3.1.0]hexanes. The compounds of this invention are muscarinic receptor antagonists which are useful, inter-alia, for the treatment of various diseases of the respiratory, urinary and gastrointestinal systems mediated through muscarinic receptors. The invention also relates to a process for the preparation of the compounds of the present invention, pharmaceutical compositions containing the compounds of the present invention and the methods for treating the diseases mediated through muscarinic receptors.

  本发明通常涉及3,6-二取代的氮杂双环[3.1.0]己烷的衍生物。本发明的化合物是肌肉型乙酰胆碱受体拮抗剂，可用于治疗通过肌肉型乙酰胆碱受体介导的呼吸系统、泌尿系统和胃肠系统的各种疾病。本发明还涉及一种制备本发明化合物的方法，含有本发明化合物的制药组合物以及治疗通过肌肉型乙酰胆碱受体介导的疾病的方法。
• US7410993B2
  申请人：——

  公开号：US7410993B2

  公开（公告）日：2008-08-12
• Design, synthesis and activity of novel derivatives of Oxybutynin and Tolterodine
  作者：Kirandeep Kaur、Shelly Aeron、Miriyala Bruhaspathy、Shankar J. Shetty、Suman Gupta、Laxminarayan H. Hegde、Arun D.V. Silamkoti、Anita Mehta、Anita Chugh、Jang B. Gupta、P.K.S. Sarma、Naresh Kumar

  DOI：10.1016/j.bmcl.2005.02.036

  日期：2005.4

  Novel derivatives of Tolterodine (1) and Oxybutynin (2) have been designed using conformationally restricted azabicyclics as replacement for open-chain amines. The synthesis and structure-activity relationships are presented. (c) 2005 Elsevier Ltd. All rights reserved.