S-methyl 3-(naphthalen-1-ylimino)-2-thia-4-azaspiro[5.5]undecane-4-carbothioate | 848405-10-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: S-methyl 3-(naphthalen-1-ylimino)-2-thia-4-azaspiro[5.5]undecane-4-carbothioate
• 英文别名: S-methyl 3-naphthalen-1-ylimino-2-thia-4-azaspiro[5.5]undecane-4-carbothioate
• CAS: 848405-10-7
• 化学式: C₂₁H₂₄N₂OS₂
• 分子量: 384.566
• InChiKey: YDDYIKCCDDYARR-UHFFFAOYSA-N

物化性质

• 沸点：
  559.7±33.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  83.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(1-naphthyl)imino-5,5-pentamethylene-5,6-dihydro-4H-1,3-thiazine 、 氯硫醇甲酸甲酯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以65%的产率得到S-methyl 3-(naphthalen-1-ylimino)-2-thia-4-azaspiro[5.5]undecane-4-carbothioate
  参考文献：
  名称：

  2-Arylimino-5,6-dihydro-4H-1,3-thiazines as a new class of cannabinoid receptor agonists. Part 3: Synthesis and activity of isosteric analogs

  摘要：

  Structure-activity relationships and efforts to optimize the pharmacokinetic pro. le of isosteric analogs of 2-arylimino-5,6-dihydro-4H-1,3-thiazines as cannabinoid receptor agonists are described. Among those examined, compound 25 showed potent affinity for cannabinoid receptor 1 (CB1) and receptor 2 (CB2). This compound displayed oral bioavailability and analgesic activity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.070

文献信息

• 2-Arylimino-5,6-dihydro-4H-1,3-thiazines as a new class of cannabinoid receptor agonists. Part 3: Synthesis and activity of isosteric analogs
  作者：Hiroyuki Kai、Yasuhide Morioka、Yuji Koriyama、Kazuya Okamoto、Yasushi Hasegawa、Maki Hattori、Katsumi Koike、Hiroki Chiba、Shunji Shinohara、Yuka Iwamoto、Kohji Takahashi、Norihiko Tanimoto

  DOI：10.1016/j.bmcl.2008.10.070

  日期：2008.12

  Structure-activity relationships and efforts to optimize the pharmacokinetic pro. le of isosteric analogs of 2-arylimino-5,6-dihydro-4H-1,3-thiazines as cannabinoid receptor agonists are described. Among those examined, compound 25 showed potent affinity for cannabinoid receptor 1 (CB1) and receptor 2 (CB2). This compound displayed oral bioavailability and analgesic activity. (C) 2008 Elsevier Ltd. All rights reserved.