(E)-7-(3,4,5-trimthoxyphenyl)-5,6,6a,7-tetrahydrobenzo[b]naphtho[1,2-e][1,4]thiazepine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: (E)-7-(3,4,5-trimthoxyphenyl)-5,6,6a,7-tetrahydrobenzo[b]naphtho[1,2-e][1,4]thiazepine
• 英文别名: 7-(3,4,5-Trimethoxyphenyl)-5,6,6a,7-tetrahydronaphtho[2,1-c][1,5]benzothiazepine
• 化学式: C₂₆H₂₅NO₃S
• 分子量: 431.555
• InChiKey: DAJBAAQACVTYSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  65.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,4,5-三甲氧基苯甲醛 、 2-氨基苯硫醇 、 3,4-二氢-1(2H)-萘酮 在 四氯化硅 作用下， 以 二氯甲烷 为溶剂， 反应 23.0h， 以89%的产率得到(E)-7-(3,4,5-trimthoxyphenyl)-5,6,6a,7-tetrahydrobenzo[b]naphtho[1,2-e][1,4]thiazepine
  参考文献：
  名称：

  A new and facile tetrachlorosilane-promoted one-pot condensation for the synthesis of a novel series of tetracyclic 1,5-thiazepines

  摘要：

  A new and facile approach for the one-pot synthesis of a novel series of tetracyclic 1,5-thiazepines is described. The reaction occurs through cyclocondensation of fused cyclic ketones, aromatic aldehydes, and 2-aminothiophenol using tetrachlorosilane as a promoter in methylene chloride at ambient temperature. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.09.006

文献信息

• PHENYLTHIOPHENYLDIHYDROBENZOTHIAZEPINE INHIBITORS OF STORE OPERATED CALCIUM RELEASE
  申请人：Whitten Jeffrey P.

  公开号：US20110269743A1

  公开（公告）日：2011-11-03

  Described herein are compounds and pharmaceutical compositions containing such compounds, which modulate the activity of store-operated calcium (SOC) channels. Also described herein are methods of using such SOC channel modulators, alone and in combination with other compounds, for treating diseases, disorders or conditions that would benefit from inhibition of SOC channel activity.
• [EN] PHENYLTHIOPHENYLDIHYDROBENZOTHIAZEPINE INHIBITORS OF STORE OPERATED CALCIUM RELEASE<br/>[FR] INHIBITEURS PHÉNYLTHIOPHÉNYLDIHYDROBENZOTHIAZÉPINE DE LIBÉRATION DE CALCIUM CAPACITIF
  申请人：CALCIMEDICA INC

  公开号：WO2010034011A9

  公开（公告）日：2010-09-30

  [EN] Described herein are compounds and pharmaceutical compositions containing such compounds, which modulate the activity of store-operated calcium (SOC) channels. Also described herein are methods of using such SOC channel modulators, alone and in combination with other compounds, for treating diseases, disorders or conditions that would benefit from inhibition of SOC channel activity.
  [FR] L'invention concerne des composés, et des compositions pharmaceutiques contenant de tels composés, qui modulent l'activité de canaux calciques capacitifs (SOC). L'invention concerne également des procédés pour utiliser de tels modulateurs de canal SOC, seuls ou en combinaison avec d'autres composés, pour traiter des maladies, des troubles ou des états qui bénéficieraient d'une inhibition de l'activité de canal SOC.