5-(5-hydroxy-5,6,7,8-tetrahydroquinazolin-5-yl)-4,5,6,7-tetrahydrobenzothiazole-5-carboxylic acid | 871328-38-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(5-hydroxy-5,6,7,8-tetrahydroquinazolin-5-yl)-4,5,6,7-tetrahydrobenzothiazole-5-carboxylic acid
• 英文别名: 5-(5-hydroxy-7,8-dihydro-6H-quinazolin-5-yl)-6,7-dihydro-4H-1,3-benzothiazole-5-carboxylic acid
• CAS: 871328-38-0
• 化学式: C₁₆H₁₇N₃O₃S
• 分子量: 331.395
• InChiKey: QKHAXLBVWZVGOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5-(5-hydroxy-5,6,7,8-tetrahydroquinazolin-5-yl)-4,5,6,7-tetrahydrobenzothiazole-5-carboxylic acid 在 吡啶 、 苯磺酰氯 、 2,4,6-三甲基吡啶 作用下， 反应 21.5h， 生成 5-(6,7-dihydro-4H-benzothiazol-5-ylidene)-5,6,7,8-tetrahydro-quinazoline
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS
  [FR] COMPOSES ORGANIQUES

  摘要：

  公开号：

  WO2005118557A3
• 作为产物：
  描述：

  7,8-二氢-5(6H)-喹唑啉酮 在 正丁基锂 、 二异丙胺 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 20.0h， 生成 5-(5-hydroxy-5,6,7,8-tetrahydroquinazolin-5-yl)-4,5,6,7-tetrahydrobenzothiazole-5-carboxylic acid
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS
  [FR] COMPOSES ORGANIQUES

  摘要：

  公开号：

  WO2005118557A3

文献信息

• HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS
  申请人：HEROLD Peter

  公开号：US20080318978A2

  公开（公告）日：2008-12-25

  The application relates to novel heterocyclic compounds of the general formula (I) in which R, R 1 , R 2 , W, X, Y, Z and n have the meanings defined in the description, to a process for their preparation and to the use of these compounds as medicaments, in particular as aldosterone synthase inhibitors.

  该申请涉及一种新型杂环化合物，其通式为（I），其中R，R1，R2，W，X，Y，Z和n的含义在说明中定义，以及它们的制备方法和将这些化合物用作药物的用途，特别是用作醛固酮合酶抑制剂。
• Heterocyclic compounds and their use as aldosterone synthase inhibitors
  申请人：Herold Peter

  公开号：US20100029694A1

  公开（公告）日：2010-02-04

  Heterocyclic compounds of the general formula (I) in which R, R 1 , R 2 , W, X, Y, Z and n have the meanings defined in the description, a process for their preparation and the use of these compounds as medicaments, in particular as aldosterone synthase inhibitors.

  一般式（I）的杂环化合物，其中R、R1、R2、W、X、Y、Z和n的含义在说明中定义，其制备方法以及将这些化合物用作药物，特别是醛固酮合成酶抑制剂。
• US7612088B2
  申请人：——

  公开号：US7612088B2

  公开（公告）日：2009-11-03
• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSES ORGANIQUES
  申请人：SPEEDEL EXPERIMENTA AG

  公开号：WO2005118557A2

  公开（公告）日：2005-12-15

  The application relates to novel heterocyclic compounds of the general formula (I) in which R, R1,R2 , W, X, Y, Z and n have the meanings defined in the description, to a process for their preparation and to the use of these compounds as medicaments, in particular as aldosterone synthase inhibitors.