3-acetyl-2-[2-(3-(N-(cyclohexylmethyl)-N-(2-hydroxyethyl)amino)-propoxy)-5-methoxyphenyl]benzothiazoline hydrochloride | 610308-04-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 3-acetyl-2-[2-(3-(N-(cyclohexylmethyl)-N-(2-hydroxyethyl)amino)-propoxy)-5-methoxyphenyl]benzothiazoline hydrochloride
• 英文别名: 1-[2-[2-[3-[cyclohexylmethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone;hydrochloride
• CAS: 610308-04-8
• 化学式: C₂₈H₃₈N₂O₄S*ClH
• 分子量: 535.148
• InChiKey: VKPCLTUVNAUPHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.92
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  87.5
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative
  申请人：Tokai Maki

  公开号：US20050113430A1

  公开（公告）日：2005-05-26

  The present invention provides κ opioid receptor agonists comprising 2-phenylbenzothiazoline derivatives. The present invention relates to κ opioid receptor agonists comprising compounds or salts thereof having the chemical structure represented by the general formula [I]. Namely, it is important for exhibition of the κ opioid receptor agonist actions to have an alkyl group having an amino group at a phenyl group of 2-phenylbenzothiazoline as a substituent and to have an acyl group at a nitrogen atom of 2-phenylbenzothiazoline, wherein R is alkyl having the amino group as the substituent; and R 1 is acyl.

  本发明提供了包含2-苯基苯并噻唑衍生物的κ阿片受体激动剂。本发明涉及化学结构式[I]所表示的化合物或其盐，其包含κ阿片受体激动剂，即在2-苯基苯并噻唑的苯基上具有氨基取代基的烷基取代基，并在2-苯基苯并噻唑的氮原子上具有酰基取代基，这对于展示κ阿片受体激动剂作用非常重要，其中R是具有氨基取代基的烷基取代基；R1是酰基。
• Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative
  申请人：Tokai Maki

  公开号：US20060205796A1

  公开（公告）日：2006-09-14

  A method of treating pain or pruritis comprising administering to a patient in need thereof a pharmaceutically effective amount of a κ opioid receptor agonist of the formula wherein R is an alkyl having an amino group as a substituent; and R 1 is acyl.

  一种治疗疼痛或瘙痒的方法，包括向需要治疗的患者给予药效有效量的κ阿片受体激动剂，该激动剂的化学式为其中R是具有氨基基团的烷基；R1是酰基。
• Kappa-opioid receptor agonist comprising a 2-phenylbenzothiazoline derivative
  申请人：SANTEN PHARMACEUTICAL CO., LTD.

  公开号：EP1496053B1

  公开（公告）日：2012-06-20
• US7112598B2
  申请人：——

  公开号：US7112598B2

  公开（公告）日：2006-09-26
• US7410987B2
  申请人：——

  公开号：US7410987B2

  公开（公告）日：2008-08-12