1-(2,6-二乙苯基)-硫脲 | 25343-30-0

• 物质功能分类: 化学试剂 - 有机试剂 - 硫脲
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(2,6-二乙苯基)-硫脲
• 中文别名: 2,6-二乙基苯基硫脲
• 英文名称: 1-(2,6-diethylphenyl)thiourea
• 英文别名: S02116；2.6-Diethylphenyl-1-thiocarbamid；2,6-Diethylphenylthiourea；(2,6-diethylphenyl)thiourea
• CAS: 25343-30-0
• 化学式: C₁₁H₁₆N₂S
• mdl: MFCD00041166
• 分子量: 208.327
• InChiKey: UQCMKQLHZQIUHB-UHFFFAOYSA-N

物化性质

• 熔点：
  196-198°C

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  70.1
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT
• 危险类别码：
  R25
• 海关编码：
  2930909090
• 安全说明：
  S22,S36/37,S45

反应信息

• 作为反应物：
  描述：

  1-(2,6-二乙苯基)-硫脲 在 三甲基铝 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 30.0h， 生成 2-(2,6-Diethyl-phenylamino)-4-trifluoromethyl-thiazole-5-carboxylic acid cyclopropylmethyl-propyl-amide
  参考文献：
  名称：

  2-Arylaminothiazoles as high-affinity corticotropin-Releasing factor 1 receptor (CRF1R) antagonists: synthesis, binding studies and behavioral efficacy

  摘要：

  2-Arylamino-4-trifluoromethyl-5-aminomethylthiazoles represent a novel series of high-affinity corticotropin releasing factor-1 receptor (CRF1R) antagonists that are prepared in three steps in good overall yields. Herein, we report binding SAR as well as anxiolytic activity of an exemplary compound (7a, K-i = 8.6 nM) in a mouse canopy model. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.055
• 作为产物：
  描述：

  2,6-二乙基苯胺 、 硫氰酸铵 在 盐酸 作用下， 生成 1-(2,6-二乙苯基)-硫脲
  参考文献：
  名称：

  Novel synthetic approach to N-aryl-4-(3-pyridyl)thiazol-2-amine and analogues using HMCM-41 as catalyst, and their biological evaluation as human platelet aggregation inhibitors

  摘要：

  A novel synthetic approach to N-aryl-4-(3-pyridyl)thiazol-2-amine and analogues using HMCM-41, a mesoporous aluminosilicate catalyst and their in vitro ADP-induced platelet aggregation inhibitory activity on human blood platelets is described. Among the test compounds N-(2'flourophenyl)-4-(3-pyridyl)thiazol-2-amine (9e) was found to be the most potent, IC50 = 4.84 x 10(-7) M. (c) 2007 Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2007.01.016

文献信息

• OPIOID RECEPTOR MODULATORS AND USE THEREOF
  申请人：National Health Research Institutes

  公开号：US20170056377A1

  公开（公告）日：2017-03-02

  Disclosed is an in vitro screening method for identifying an antagonist-to-agonist allosteric modifier of a mu-opioid receptor and an in vivo method for confirming that a test compound is such a modifier of a mu-opioid receptor. Also disclosed is a method for treating an opioid receptor-associated condition using a compound of Formula (I) and a pharmaceutical composition containing the same.

  揭示了一种体外筛选方法，用于识别μ-阿片受体的拮抗剂-激动剂异位调节剂，并揭示了一种体内方法，用于确认测试化合物是否为μ-阿片受体的这种调节剂。还揭示了一种使用式（I）化合物和含有该化合物的药物组合物治疗阿片受体相关疾病的方法。
• US4148799A
  申请人：——

  公开号：US4148799A

  公开（公告）日：1979-04-10
• US9827228B2
  申请人：——

  公开号：US9827228B2

  公开（公告）日：2017-11-28
• [EN] OPIOID RECEPTOR MODULATORS AND USE THEREOF<br/>[FR] MODULATEURS DES RÉCEPTEURS OPIOÏDES ET LEUR UTILISATION
  申请人：UNIV MINNESOTA

  公开号：WO2017039778A1

  公开（公告）日：2017-03-09

  Disclosed is an in vitro screening method for identifying an antagonist-to-agonist allosteric modifier of a mu-opioid receptor and an in vivo method for confirming that a test compound is such a modifier of a mu-opioid receptor. Also disclosed is a method for treating an opioid receptor-associated condition using a compound of Formula (I) and a pharmaceutical composition containing the same.
• Novel synthetic approach to N-aryl-4-(3-pyridyl)thiazol-2-amine and analogues using HMCM-41 as catalyst, and their biological evaluation as human platelet aggregation inhibitors
  作者：Umadevi Bhoga

  DOI：10.1016/j.ejmech.2007.01.016

  日期：2007.8

  A novel synthetic approach to N-aryl-4-(3-pyridyl)thiazol-2-amine and analogues using HMCM-41, a mesoporous aluminosilicate catalyst and their in vitro ADP-induced platelet aggregation inhibitory activity on human blood platelets is described. Among the test compounds N-(2'flourophenyl)-4-(3-pyridyl)thiazol-2-amine (9e) was found to be the most potent, IC50 = 4.84 x 10(-7) M. (c) 2007 Published by Elsevier Masson SAS.