(1R,9aR)-1-(2-Chloro-9H-thioxanthen-9-ylsulfanylmethyl)-octahydro-quinolizine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻喃类
• 英文名称: (1R,9aR)-1-(2-Chloro-9H-thioxanthen-9-ylsulfanylmethyl)-octahydro-quinolizine
• 英文别名: (1R,9aR)-1-[(2-chloro-9H-thioxanthen-9-yl)sulfanylmethyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
• 化学式: C₂₃H₂₆ClNS₂
• 分子量: 416.051
• InChiKey: BKBMNCUTHNZBFH-MZRHBZNASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  53.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氯噻吨酮 在 甲醇 、 sodium hydroxide 、 溶剂黄146 、 锌 作用下， 以 乙醇 为溶剂， 反应 16.0h， 生成 (1R,9aR)-1-(2-Chloro-9H-thioxanthen-9-ylsulfanylmethyl)-octahydro-quinolizine
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of some thiolupinine derivatives

  摘要：

  A small set of 9-(lupinylthio)xanthene, -thioxanthenes and alpha-(lupinylthio)diphenylmethanes was prepared and found to inhibit the angiotensin II-induced contractions of guinea pig ileum. Some of these compounds were also moderately active in vitro as tracheal relaxants and one compound was more active than aspirin against arachidonic acid-induced platelet aggregation. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00041-5

文献信息

• Synthesis and pharmacological evaluation of some thiolupinine derivatives
  作者：Federica Novelli、Bruno Tasso、Fabio Sparatore

  DOI：10.1016/s0014-827x(99)00041-5

  日期：1999.6

  A small set of 9-(lupinylthio)xanthene, -thioxanthenes and alpha-(lupinylthio)diphenylmethanes was prepared and found to inhibit the angiotensin II-induced contractions of guinea pig ileum. Some of these compounds were also moderately active in vitro as tracheal relaxants and one compound was more active than aspirin against arachidonic acid-induced platelet aggregation. (C) 1999 Elsevier Science S.A. All rights reserved.