CP-866087 mesylate | 519052-03-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: CP-866087 mesylate
• 英文别名: N-[3-[(1R,5S)-6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;methanesulfonic acid
• CAS: 519052-03-0
• 化学式: C25H34N2O6S2
• 分子量: 522.7
• InChiKey: JGFCIQDZOHYVLW-FFNYYASZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  141
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• CRYSTAL OF SALT OF NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF
  申请人：SANWA KAGAKU KENKYUSHO CO., LTD.

  公开号：US20180148409A1

  公开（公告）日：2018-05-31

  Disclosed herein are a crystal comprising a compound, which has μ-opioid receptor antagonistic action, few side effects, and high safety, and having high purity and excellent physical properties (stability, solubility, etc.), and a method for producing the crystal. The crystal is a crystal of a salt comprising: a compound represented by a formula (I) [wherein R 2 is a hydrogen atom or a halogen atom, and R 1 is a group selected from the group consisting of and an acid selected from the group consisting of hydrochloric acid, hydrobromic acid, and oxalic acid, or a hydrate thereof.

  本文披露了一种晶体，其中包含一种化合物，具有μ-阿片受体拮抗作用，副作用少，安全性高，纯度高，具有优异的物理性质（稳定性、溶解性等），以及一种制备该晶体的方法。该晶体是一种包含盐的晶体，该盐包含以下化合物：由式（I）表示的化合物[其中R2是氢原子或卤原子，R1是从所选组中选择的群，以及从盐酸、溴酸和草酸中选择的酸或其水合物。
• NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES
  申请人：SANWA KAGAKU KENKYUSHO CO., LTD.

  公开号：EP3072884A1

  公开（公告）日：2016-09-28

  The object of the present invention is to provide a compound having an antagonistic action against µ-opioid receptors, which causes less side effects and thus is highly safe. A compound represented by the general formula (I), or a pharmacologically acceptable salt thereof: wherein R1 and R2 are the same or different, and each represents a hydrogen atom or a halogen atom, provided that R1 and R2 are not simultaneously halogen atoms, R3 represents a C1-C3 alkyl group or a vinyl group, and R4 represents the formula (II): wherein R5 represents a hydroxy group or a C1-C3 alkoxy group, and R6 and R7 are the same or different, and each represents a hydrogen atom or a halogen atom; or the formula (III): wherein Ring A represents a halogen atom(s)-substituted C5-C7 cycloalkyl group which is optionally substituted by a C1-C3 alkoxy group, or a halogen atom(s)-substituted 5- to 7-membered saturated heterocyclic group.

  本发明的目的是提供一种对μ-阿片受体具有拮抗作用的化合物，该化合物的副作用较小，因此安全性高。 通式(I)代表的化合物或其药理学上可接受的盐： 其中 R1 和 R2 相同或不同，各自代表氢原子或卤素原子，但 R1 和 R2 不能同时代表卤素原子、 R3 代表 C1-C3 烷基或乙烯基，以及 R4 代表式 (II)： 其中 R5 代表羟基或 C1-C3 烷氧基，R6 和 R7 相同或不同，且各自代表氢原子或卤素原子； 或式 (III)： 其中环 A 代表任选被 C1-C3 烷氧基取代的卤原子取代的 C5-C7 环烷基或卤原子取代的 5-7 元饱和杂环基。
• Crystal of salt of novel 3-azabicyclo[3.1.0]hexane derivative and pharmaceutical use thereof
  申请人：SANWA KAGAKU KENKYUSHO CO., LTD.

  公开号：US10392345B2

  公开（公告）日：2019-08-27

  Disclosed herein are a crystal comprising a compound, which has μ-opioid receptor antagonistic action, few side effects, and high safety, and having high purity and excellent physical properties (stability, solubility, etc.), and a method for producing the crystal. The crystal is a crystal of a salt comprising: a compound represented by a formula (I) [wherein R2 is a hydrogen atom or a halogen atom, and R1 is a group selected from the group consisting of and an acid selected from the group consisting of hydrochloric acid, hydrobromic acid, and oxalic acid, or a hydrate thereof.

  本文公开了一种由化合物组成的晶体，该化合物具有μ-阿片受体拮抗作用，副作用小，安全性高，纯度高，物理性质（稳定性、溶解性等）优良。 该晶体是一种盐的晶体，包括：由式（I）代表的化合物 [其中 R2 是氢原子或卤素原子，R1 是选自以下组别的基团 和一种选自盐酸、氢溴酸和草酸或其水合物的酸。
• NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSE
  申请人：SANWA KAGAKU KENKYUSHO CO., LTD.

  公开号：US20160280645A1

  公开（公告）日：2016-09-29

  The object of the present invention is to provide a compound having an antagonistic action against μ-opioid receptors, which causes less side effects and thus is highly safe. A compound represented by the general formula (I), or a pharmacologically acceptable salt thereof: wherein R 1 and R 2 are the same or different, and each represents a hydrogen atom or a halogen atom, provided that R 1 and R 2 are not simultaneously halogen atoms, R 3 represents a C 1 -C 3 alkyl group or a vinyl group, and R 4 represents the formula (II): wherein R 5 represents a hydroxy group or a C 1 -C 3 alkoxy group, and R 6 and R 7 are the same or different, and each represents a hydrogen atom or a halogen atom; or the formula (III): wherein Ring A represents a halogen atom(s)-substituted C 5 -C 7 cycloalkyl group which is optionally substituted by a C 1 -C 3 alkoxy group, or a halogen atom(s)-substituted 5- to 7-membered saturated heterocyclic group.
• US9663463B2
  申请人：——

  公开号：US9663463B2

  公开（公告）日：2017-05-30