N-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine | 102389-18-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
• CAS: 102389-18-4
• 化学式: C₁₃H₁₈N₂S
• mdl: MFCD02725627
• 分子量: 234.365
• InChiKey: ACBUMAWXOCNMGY-UHFFFAOYSA-N

物化性质

• 沸点：
  345.6±35.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)
• 溶解度：
  35 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  49.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二硫化碳 、 N-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine 、 碘甲烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成
  参考文献：
  名称：

  2-Arylimino-5,6-dihydro-4H-1,3-thiazines as a new class of cannabinoid receptor agonists. Part 1: Discovery of CB2 receptor selective compounds

  摘要：

  2-Arylimino-5,6-dihydro-4H-1,3-thiazines have been identified as a novel class of cannabinoid agonists. A lead structure with moderate activity was discovered through a high throughput screening assay. Structure-activity relationships led to the discovery of potent agonists of CB2 receptor. The most potent compound 13 displays K-i values of > 5000 and 9 nM to CB1 and CB2 receptors, respectively. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.093
• 作为产物：
  描述：

  2-异丙基苯基异硫氰酸酯 在 盐酸 作用下， 以 二氯甲烷 为溶剂， 生成 N-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
  参考文献：
  名称：

  2-Arylimino-5,6-dihydro-4H-1,3-thiazines as a new class of cannabinoid receptor agonists. Part 1: Discovery of CB2 receptor selective compounds

  摘要：

  2-Arylimino-5,6-dihydro-4H-1,3-thiazines have been identified as a novel class of cannabinoid agonists. A lead structure with moderate activity was discovered through a high throughput screening assay. Structure-activity relationships led to the discovery of potent agonists of CB2 receptor. The most potent compound 13 displays K-i values of > 5000 and 9 nM to CB1 and CB2 receptors, respectively. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.093

文献信息

• 2-Arylimino-5,6-dihydro-4H-1,3-thiazines as a new class of cannabinoid receptor agonists. Part 1: Discovery of CB2 receptor selective compounds
  作者：Hiroyuki Kai、Yasuhide Morioka、Takami Murashi、Koichi Morita、Satomi Shinonome、Hitoshi Nakazato、Keiko Kawamoto、Kohji Hanasaki、Fumiyo Takahashi、Shin-ichi Mihara、Tohko Arai、Kohji Abe、Hiroshi Okabe、Takahiko Baba、Takayoshi Yoshikawa、Hideyuki Takenaka

  DOI：10.1016/j.bmcl.2007.04.093

  日期：2007.7

  2-Arylimino-5,6-dihydro-4H-1,3-thiazines have been identified as a novel class of cannabinoid agonists. A lead structure with moderate activity was discovered through a high throughput screening assay. Structure-activity relationships led to the discovery of potent agonists of CB2 receptor. The most potent compound 13 displays K-i values of > 5000 and 9 nM to CB1 and CB2 receptors, respectively. (C) 2007 Elsevier Ltd. All rights reserved.