[5,5-Dimethyl-[1,3]thiazinan-(2Z)-ylidene]-phenyl-amine | 102389-12-8

• 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: [5,5-Dimethyl-[1,3]thiazinan-(2Z)-ylidene]-phenyl-amine
• 英文别名: 5,5-dimethyl-N-phenyl-4,6-dihydro-1,3-thiazin-2-amine
• CAS: 102389-12-8
• 化学式: C₁₂H₁₆N₂S
• 分子量: 220.338
• InChiKey: OQWVPNXUWWUDGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 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：

  [5,5-Dimethyl-[1,3]thiazinan-(2Z)-ylidene]-phenyl-amine 在 吡啶 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.5h， 生成 6-chloroacetyl-3,4-dihydro-7,8-dimethoxycarbonyl-3,3-dimethyl-2H-pyrrolo<2,1-b><1,3>thiazine
  参考文献：
  名称：

  Formation and Reaction of Mesoionic Imidazolo[2,3-b][1,3]thiazines and [1,2,4,6]Thiatriazino[3,2-b][1,3]thiazin-4-one 2,2-Diosides from 2-Arylimino-1,3-thiazines

  摘要：

  DOI：

  10.3987/com-87-4351
• 作为产物：
  描述：

  在 盐酸 作用下， 生成 [5,5-Dimethyl-[1,3]thiazinan-(2Z)-ylidene]-phenyl-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

• Thiazinephosphonic acid derivatives, production thereof, and pesticides
  申请人：SHIONOGI & CO., LTD.

  公开号：EP0175985A1

  公开（公告）日：1986-04-02

  57 Novel thiazinephosphonic acid derivatives (I): (wherein R1 and R2 each is lower alkoxy, lower alkynyloxy, lower alkylthio, arylthio, or lower alkylamino; R3 and R4 each is hydrogen or lower alkyl; R5, R6, and R7 each is hydrogen, lower alkyl, lower alkoxy, halogen, or trifluoromethyl; and X is oxygen or sulfur),. production thereof, and pesticides comprising said compounds (I) are provided.

  57 提供了新型噻嗪膦酸衍生物（I）：（其中 R1 和 R2 分别为低级烷氧基、低级炔氧基、低级烷硫基、芳基硫基或低级烷基氨基；R3 和 R4 分别为氢或低级烷基；R5、R6 和 R7 分别为氢、低级烷基、低级烷氧基、卤素或三氟甲基；X 为氧或硫）、其生产以及包含所述化合物（I）的农药。
• US4681874A
  申请人：——

  公开号：US4681874A

  公开（公告）日：1987-07-21
• 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.
• Formation and Reaction of Mesoionic Imidazolo[2,3-b][1,3]thiazines and [1,2,4,6]Thiatriazino[3,2-b][1,3]thiazin-4-one 2,2-Diosides from 2-Arylimino-1,3-thiazines
  作者：Mitsuhiro Ichinari、Tomohiro Sato、Yoshio Hayase

  DOI：10.3987/com-87-4351

  日期：——