2-(2-异丙基苯基)亚氨基-5,5-二甲基-1,3-噻嗪 | 102389-19-5

• 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: 2-(2-异丙基苯基)亚氨基-5,5-二甲基-1,3-噻嗪
• 英文名称: 2-(2-isopropylphenyl)imino-5,5-dimethyl-1,3-thiazine
• 英文别名: (Z)-N-(5,5-dimethyl-1,3-thiazinan-2-ylidene)-2-isopropylbenzenamine；5,5-dimethyl-N-(2-propan-2-ylphenyl)-4,6-dihydro-1,3-thiazin-2-amine
• CAS: 102389-19-5
• 化学式: C₁₅H₂₂N₂S
• mdl: MFCD25190772
• 分子量: 262.419
• InChiKey: PCBCFKNHFIOIQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.533
• 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：

  2-(2-异丙基苯基)亚氨基-5,5-二甲基-1,3-噻嗪 在 劳森试剂 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 反应 3.0h， 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：

  N-(2-isopropylphenyl)-N'-(3-hydroxy-2,2-dimethyl)propylthiourea 在 potassium carbonate 作用下， 生成 2-(2-异丙基苯基)亚氨基-5,5-二甲基-1,3-噻嗪
  参考文献：
  名称：

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

  摘要：

  Structure-activity; relationships and efforts to optimize the pharmacokinetic profile of a class of 2-arylimino-5,6-dihydro4H-1,3-thiazines as cannabinoid receptor agonists are described. Among the compounds examined, compound 14 showed potent affinity and high selectivity for CB2, and compound 23 showed potent affinities against CB1 and CB2. These compounds displayed oral bioavailability. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.099

文献信息

• 2-imino-1,3-thiazine derivatives
  申请人：Hanasaki Koji

  公开号：US20070088020A1

  公开（公告）日：2007-04-19

  The present invention relates to 2-imino-1,3-thiazine derivatives, in specific, 2-imino-1,3-thiazine derivatives having a selective antagonistic activity or agonistic activity to a cannabinoid type 2 receptor and their pharmaceutical use.

  本发明涉及2-亚氨基-1,3-噻嗪衍生物，具体地说，涉及具有选择性拮抗或激动大麻素类型2受体活性的2-亚氨基-1,3-噻嗪衍生物及其药物用途。
• Antipruritics
  申请人：Yasui Kiyoshi

  公开号：US20080312292A1

  公开（公告）日：2008-12-18

  It is intended to provide antipruritics (drugs to control itching, antiitch agents and drugs to stop itching). It is found out that a compound having an agonistic activity to the cannabinoid receptor shows an antipruritics effect.

  这句话的意思是：它旨在提供止痒药（控制瘙痒的药物、抗瘙痒剂和止痒药物）。发现一种具有类脂激素受体激动活性的化合物具有止痒效果。
• ANTIPRURITICS
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1477186B1

  公开（公告）日：2009-11-11
• MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1375489B1

  公开（公告）日：2008-08-20
• 2-IMINO-1,3-THIAZINE DERIVATIVES
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1219612B1

  公开（公告）日：2008-04-23