9H-xanthene-9-carboxylic acid (2-isopropyl-2H-tetrazol-5-yl)-amide | 391881-03-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 9H-xanthene-9-carboxylic acid (2-isopropyl-2H-tetrazol-5-yl)-amide
• 英文别名: 9H-Xanthene-9-carboxamide, N-[2-(1-methylethyl)-2H-tetrazol-5-yl]-；N-(2-propan-2-yltetrazol-5-yl)-9H-xanthene-9-carboxamide
• CAS: 391881-03-1
• 化学式: C₁₈H₁₇N₅O₂
• 分子量: 335.365
• InChiKey: RSZVCJLSWBLJAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  81.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-异丙基-2H-四唑-5-胺 、 呫吨-9-甲酸 在 N,N'-羰基二咪唑 作用下， 生成 9H-xanthene-9-carboxylic acid (2-isopropyl-2H-tetrazol-5-yl)-amide
  参考文献：
  名称：

  9H-Xanthene-9-carboxylic acid [1,2,4]oxadiazol-3-yl- and (2H-tetrazol-5-yl)-amides as potent, orally available mGlu1 receptor enhancers

  摘要：

  Small molecule mGluR1 enhancers based on the lead compound (9H-xanthene-9-carbonyl)-carbamic acid butyl ester derived from random-screening hit diphenylacetyl-carbamic acid ethyl ester were designed and synthesized as useful pharmacological tools for the study of the physiological roles mediated by mGlu1 receptors. The synthesis and the structure-activity relationship of this new class of positive allosteric modulators of mGlu1 receptors will be discussed in detail. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.135

文献信息

• Novel 2H-tetrazole-amide compounds with therapeutic activity as metabotropic glutamate receptor agonists
  申请人：——

  公开号：US20020022648A1

  公开（公告）日：2002-02-21

  The present invention is a series of 2H-tetrazole-5-yl-amide derivatives showing activity as ligands of metabotropic glutamate receptors.

  本发明涉及一系列2H-四唑-5-基酰胺衍生物，其作为代谢型谷氨酸受体的配体具有活性。
• 2H-tetrazole-amide compounds with therapeutic activity as metabotropic glutamate receptor agonists
  申请人：Hoffmann-la Roche Inc.

  公开号：US06399641B1

  公开（公告）日：2002-06-04

  The present invention is a series of 2H-tetrazole-5-yl-amide derivatives showing activity as ligands of metabotropic glutamate receptors.

  本发明涉及一系列2H-四唑-5-基酰胺衍生物，其作为代谢性谷氨酸受体的配体具有活性。
• 9H-Xanthene-9-carboxylic acid [1,2,4]oxadiazol-3-yl- and (2H-tetrazol-5-yl)-amides as potent, orally available mGlu1 receptor enhancers
  作者：Eric Vieira、Jörg Huwyler、Synèse Jolidon、Frédéric Knoflach、Vincent Mutel、Jürgen Wichmann

  DOI：10.1016/j.bmcl.2005.05.135

  日期：2005.10

  Small molecule mGluR1 enhancers based on the lead compound (9H-xanthene-9-carbonyl)-carbamic acid butyl ester derived from random-screening hit diphenylacetyl-carbamic acid ethyl ester were designed and synthesized as useful pharmacological tools for the study of the physiological roles mediated by mGlu1 receptors. The synthesis and the structure-activity relationship of this new class of positive allosteric modulators of mGlu1 receptors will be discussed in detail. (c) 2005 Elsevier Ltd. All rights reserved.