2-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)acetic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)acetic acid
• 英文别名: 2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
• 化学式: C₁₂H₂₂O₃
• 分子量: 214.3
• InChiKey: CILPHQCEVYJUDN-VWYCJHECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Acyclic 1,3-Diamine And Uses Therefor
  申请人：Casillas N. Linda

  公开号：US20070259965A1

  公开（公告）日：2007-11-08

  This invention relates to novel compounds useful in the treatment of diseases associated with TRPV4 channel receptor. More specifically, this invention relates to certain substituted amino-azepines, according to Formula I or pharmaceutically acceptable salts, hydrates, or solvates thereof, wherein: R 1 is aryl optionally substituted with CN, NO 2 , halogen or H; R 2 is H, C 1 -C 6 alkyl, C 3 -C 7 cycloalkyl, or C 3 -C 7 heterocycloalkyl; R 3 is H, OH, O—C 1 -C 6 alkyl, SH, S—C 1 -C 6 alkyl, or F; R 4 is H, C 1 -C 6 alkyl R 5 is iso-butyl, cyclohexylmethyl, or cyclopentylmethyl; and R 6 is aryl, heteroaryl.

  本发明涉及一种新型化合物，可用于治疗与TRPV4通道受体相关的疾病。更具体地说，本发明涉及按照公式I或其药学上可接受的盐、水合物或溶剂化物所替代的氨基-氮杂环化合物，其中：R1是芳基，可选用CN、NO2、卤素或H进行取代；R2是H、C1-C6烷基、C3-C7环烷基或C3-C7杂环烷基；R3是H、OH、O-C1-C6烷基、SH、S-C1-C6烷基或F；R4是H或C1-C6烷基；R5是异丁基、环己基甲基或环戊基甲基；R6是芳基或杂芳基。
• EP1797065A4
  申请人：——

  公开号：EP1797065A4

  公开（公告）日：2009-03-04
• ACYCLIC 1,3-DIAMINES AND USES THEREFOR
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1797065A2

  公开（公告）日：2007-06-20
• [EN] ACYCLIC 1,3-DIAMINES AND USES THEREFOR<br/>[FR] 1,3-DIAMINES ACYCLIQUES ET LEURS UTILISATIONS
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2006029210A2

  公开（公告）日：2006-03-16

  This invention relates to novel compounds useful in the treatment of diseases associated with TRPV4 channel receptor. More specifically, this invention relates to certain substituted -acyclic diamines according to Formula (I): or a pharmaceutically acceptable salt thereof, or a solvate thereof, or a combination thereof, wherein: the R groups are as defined herein. The present invention also relates to a pharmaceutical composition and a method of treatment using the compound of Formula (I).