1-(2,6-dichloro-phenyl)-1H-tetrazole-5-thiol | 152855-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2,6-dichloro-phenyl)-1H-tetrazole-5-thiol
• 英文别名: 1-(2,6-dichlorophenyl)-1H-tetrazole-5-thiol；1-(2,6-dichlorophenyl)-2H-tetrazole-5-thione
• CAS: 152855-28-2
• 化学式: C₇H₄Cl₂N₄S
• 分子量: 247.108
• InChiKey: ZTSBMAJYGLICDN-UHFFFAOYSA-N

物化性质

• 沸点：
  303.0±52.0 °C(predicted)
• 密度：
  1.75±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2,6-dichloro-phenyl)-1H-tetrazole-5-thiol 在 sodium hydroxide 、 五氯化磷 作用下， 以 氯仿 、 甲苯 为溶剂， 生成 2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
  参考文献：
  名称：

  Tetrazole thioacetanilides: Potent non-nucleoside inhibitors of WT HIV reverse transcriptase and its K103N mutant

  摘要：

  A series of aryltetrazolylacetanilides was synthesized and evaluated as HIV-1 non-nucleoside reverse transcriptase inhibitors on wild-type virus and on the clinically relevant K103N mutant strain. Extensive SAR investigation led to potent compounds, with nanomolar activity on K103N, and orally bioavailable in rats. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.024
• 作为产物：
  描述：

  2,6-二氯异硫氰酸苯酯 在 sodium azide 作用下， 生成 1-(2,6-dichloro-phenyl)-1H-tetrazole-5-thiol
  参考文献：
  名称：

  Tetrazole thioacetanilides: Potent non-nucleoside inhibitors of WT HIV reverse transcriptase and its K103N mutant

  摘要：

  A series of aryltetrazolylacetanilides was synthesized and evaluated as HIV-1 non-nucleoside reverse transcriptase inhibitors on wild-type virus and on the clinically relevant K103N mutant strain. Extensive SAR investigation led to potent compounds, with nanomolar activity on K103N, and orally bioavailable in rats. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.024

文献信息

• [EN] TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS TÉTRAZOLIQUES COMME ANTAGONISTES DES RÉCEPTEURS À L'OREXINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2009150614A1

  公开（公告）日：2009-12-17

  The invention relates to tetrazole compounds of formula (I) wherein X, Y, Z, R1, R2 and R3 are as described in the description; to pharmaceutically acceptable salts thereof, and to the use of such compounds use as medicaments, especially as orexin receptor antagonists.

  该发明涉及式(I)的四唑化合物，其中X、Y、Z、R1、R2和R3如描述中所述；其药学上可接受的盐，以及将这些化合物用作药物，特别是促进睡眠药物的药物受体拮抗剂。
• TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Aissaoui Hamed

  公开号：US20110086889A1

  公开（公告）日：2011-04-14

  The invention relates to tetrazole compounds of formula (I) wherein X, Y, Z, R 1 , R 2 and R 3 are as described in the description; to pharmaceutically acceptable salts thereof, and to the use of such compounds use as medicaments, especially as orexin receptor antagonists.

  该发明涉及式（I）的四唑化合物，其中X、Y、Z、R1、R2和R3如描述中所述；其药学上可接受的盐，以及将这些化合物用作药物，特别是促进睡眠的药物。