4'-{1-[8-(hydroxymethyl)-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-3-yl]cyclopropyl}-N,N-dimethylbiphenyl-3-carboxamide | 1403395-14-1

• 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: 4'-{1-[8-(hydroxymethyl)-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-3-yl]cyclopropyl}-N,N-dimethylbiphenyl-3-carboxamide
• 英文别名: 4'-{1-[8-(Hydroxymethyl)-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-3-yl]cyclopropyl}-N,N-dimethylbiphenyl-3-carboxamide；3-[4-[1-[8-(hydroxymethyl)-8-methyl-6,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]thiazepin-3-yl]cyclopropyl]phenyl]-N,N-dimethylbenzamide
• CAS: 1403395-14-1
• 化学式: C₂₆H₃₀N₄O₂S
• 分子量: 462.616
• InChiKey: OXUVTRYNINSHMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  96.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(4-氯苯基)-1-环丙烷羧酸 在 盐酸 、 potassium phosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 、 肼基甲酸叔丁酯 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 三环己基膦 作用下， 以 1,4-二氧六环 、 甲醇 、 水 、 N,N-二甲基甲酰胺 、 正丁醇 为溶剂， 反应 30.0h， 生成 4'-{1-[8-(hydroxymethyl)-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-3-yl]cyclopropyl}-N,N-dimethylbiphenyl-3-carboxamide
  参考文献：
  名称：

  TETRAHYDROTHIAZEPINE DERIVATIVE

  摘要：

  公开号：

  EP2700643B1

文献信息

• Tetrahydrothiazepine derivative
  申请人：Daiichi Sankyo Company, Limited

  公开号：US08927536B2

  公开（公告）日：2015-01-06

  The present invention relates to a compound represented by the following general formula (I) or a pharmacologically acceptable salt thereof having an excellent effect of inhibiting 11β-hydroxysteroid dehydrogenase type 1: General formula (I) wherein R1 represents a phenyl group that may be substituted with 1 to 5 group(s) independently selected from substituent group A or a heterocyclic group that may be substituted with 1 to 4 group(s) independently selected from substituent group A; R2 independently represents a halogen atom or a C1-C6 alkyl group; n represents an integer of 0 to 2; and substituent group A represents the group consisting of halogen atoms, C1-C6 alkyl groups, and so forth.

  本发明涉及一种由下列通式（I）表示的化合物或其药学上可接受的盐，具有优异的抑制11β-羟基类固醇脱氢酶1型的效果：通式（I）其中R1代表苯基，该苯基可能被1到5个独立选择的取代基A取代，或者是一种杂环基，该杂环基可能被1到4个独立选择的取代基A取代；R2独立地表示卤素原子或C1-C6烷基；n表示0到2的整数；取代基A表示卤素原子、C1-C6烷基等。
• ANALOGUES OF CILOSTAZOL
  申请人：Persichetti Rose A.

  公开号：US20100249079A1

  公开（公告）日：2010-09-30

  This invention relates to novel compounds which are derivatives of the phosphodiesterase inhibitor, cilostazol and pharmaceutically acceptable salts thereof. This invention also provides pyrogen-free compositions comprising one or more compounds of the invention and the use of the disclosed compounds and compositions in methods of treating diseases and conditions that are treated by administration of a phosphodiesterase inhibitor, such as cilostazol. The invention also relates to the use of the disclosed compounds and compositions as reagents in analytical studies involving cilostazol.
• US8927536B2
  申请人：——

  公开号：US8927536B2

  公开（公告）日：2015-01-06
• TETRAHYDROTHIAZEPINE DERIVATIVE
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP2700643B1

  公开（公告）日：2016-11-23