3-(5-Thiazol-4-yl-tetrazol-2-yl)-benzonitrile | 507268-49-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(5-Thiazol-4-yl-tetrazol-2-yl)-benzonitrile
• 英文别名: 3-[5-(1,3-Thiazol-4-yl)-2h-tetrazol-2-yl]benzonitrile；3-[5-(1,3-thiazol-4-yl)tetrazol-2-yl]benzonitrile
• CAS: 507268-49-7
• 化学式: C₁₁H₆N₆S
• 分子量: 254.275
• InChiKey: GEZRYKSGXUXPIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  间氨基苯甲腈 、 在 盐酸 、 sodium nitrite 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 3-(5-Thiazol-4-yl-tetrazol-2-yl)-benzonitrile
  参考文献：
  名称：

  Discovery of highly potent, selective, orally bioavailable, metabotropic glutamate subtype 5 (mGlu5) receptor antagonists devoid of cytochrome P450 1A2 inhibitory activity

  摘要：

  Structure-activity relationship studies focused on bio-isosteric replacements of 2-pyridyl resulted in mGlu5 receptor antagonists with reduced inhibition of cytochrome P450 1A2. This led to highly potent, selective and orally bioavailable 2-imidazolyl tetrazoles such as (10) that are devoid of cytochrome P450 inhibitory activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.018

文献信息

• Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5
  申请人：——

  公开号：US20040186295A1

  公开（公告）日：2004-09-23

  Tetrazole compounds substituted directly, or by a bridge, with a heteroaryl moiety containing N adjacent to the point of connection of the heteroaryl, are mGluR5 modulators useful in the treatment of psychiatric and mood disorders such as, for example, schizophrenia, anxiety, depression, and panic, as well as in the treatment of pain and other diseases.

  直接或通过桥连接到含有N的杂环基团，的四唑化合物是mGluR5调节剂，可用于治疗精神和情绪障碍，如精神分裂症、焦虑、抑郁和恐慌，以及疼痛和其他疾病的治疗。
• HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5
  申请人：Merck & Co., Inc.

  公开号：EP1434773A2

  公开（公告）日：2004-07-07
• EP1434773A4
  申请人：——

  公开号：EP1434773A4

  公开（公告）日：2005-01-12
• US7253190B2
  申请人：——

  公开号：US7253190B2

  公开（公告）日：2007-08-07
• [EN] HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5<br/>[FR] COMPOSES DE TETRAZOLE SUBSTITUES PAR HETEROARYLE, MODULATEURS DU RECEPTEUR-5 METABOTROPIQUE DU GLUTAMATE
  申请人：MERCK & CO INC

  公开号：WO2003029210A2

  公开（公告）日：2003-04-10

  Tetrazole compounds substituted directly, or by a bridge, with a heteroaryl moiety containing N adjacent to the point of connection of the heteroaryl, are mGluR5 modulators useful in the treatment of psychiatric and mood disorders such as, for example, schizophrenia, anxiety, depression, and panic, as well as in the treatment of pain and other diseases.