3-羟基-9-氮杂双环[3.3.1]壬烷-9-羧酸 | 854733-35-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 3-羟基-9-氮杂双环[3.3.1]壬烷-9-羧酸
• 英文名称: 3-Hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
• CAS: 854733-35-0
• 化学式: C₉H₁₅NO₃
• 分子量: 185.22
• InChiKey: IQUKRFIATLKPPK-UHFFFAOYSA-N

物化性质

• 沸点：
  359.8±52.0 °C(Predicted)
• 密度：
  1.313±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  60.8
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Pharmaceutical compounds
  申请人：Heptares Therapeutics Limited

  公开号：US10858352B2

  公开（公告）日：2020-12-08

  This invention relates to compounds that are agonists of the muscarinic M1 and/or M4 receptor and which are useful in the treatment of diseases mediated by the muscarinic M1 and M4 receptors. Also provided are pharmaceutical compositions containing the compounds and the therapeutic uses of the compounds. Compounds provided are of formula where X1; X2; X3; X4; R1 R2 and R4 are as defined herein.

  本发明涉及的化合物是毒蕈碱 M1 和/或 M4 受体的激动剂，可用于治疗由毒蕈碱 M1 和 M4 受体介导的疾病。本发明还提供了含有该化合物的药物组合物以及该化合物的治疗用途。所提供的化合物为式 其中 X1；X2；X3；X4；R1 R2 和 R4 如本文所定义。
• 9-AZABICYCLO [3 . 3 . 1]NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS
  申请人：N.V. Organon

  公开号：EP1934212A1

  公开（公告）日：2008-06-25
• OXADIAZOLES AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR
  申请人：Heptares Therapeutics Limited

  公开号：EP3810607A1

  公开（公告）日：2021-04-28
• PHARMACEUTICAL COMPOUNDS
  申请人：Heptares Therapeutics Limited

  公开号：US20210101893A1

  公开（公告）日：2021-04-08

  This invention relates to compounds that are agonists of the muscarinic M 1 and/or M 4 receptor and which are useful in the treatment of diseases mediated by the muscarinic M 1 and M 4 receptors. Also provided are pharmaceutical compositions containing the compounds and the therapeutic uses of the compounds. Compounds provided are of formula where X 1 ; X 2 ; X 3 ; X 4 ; R 1 R 2 and R 4 are as defined herein.
• [EN] 9-AZABICYCLO [3 . 3 . 1] NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS<br/>[FR] DÉRIVÉS DE 9-AZABICYCLO[3.3.1]NONANE EN TANT QU'INHIBITEURS DU RECAPTAGE DES MONOAMINES
  申请人：ORGANON NV

  公开号：WO2007039563A1

  公开（公告）日：2007-04-12

  [EN] The present invention relates to a 9-azabicyclo[3.3.1]nonane derivative of formula (I), wherein R¹ is H or C_1-5alkyl; X is O or NR², wherein R² is H, C_1-5alkyl or C_2-5acyl and Ar is C_6-10aryl or a 5-10 membered heteroaryl ring system, both being optionally substituted with one to three of R³-R⁵ independently selected from halogen, C_1-5alkyl, C_1-5alkoxy, C_3-6cycloalkyl, C_2-5alkenyl, C_2-5alkynyl, CN, NO₂, hydroxy, phenyl, phenoxy and phenylC_1-2alkoxy, wherein said C_1-5alkyl and C_1-5alkoxy are optionally substituted with one to three halogens and wherein said phenyl, phenoxy and phenylC_1-2alkoxy are optionally substituted with one to three substituents independently selected from halogen and methyl or two of R³-R⁵ at adjacent positions together form a methylenedioxy or propylene unit, with the proviso that the compounds exo-9-methyl-3-phenoxy-9-azabicyclo[3.3.1]nonane and N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-1H indazole-5-amine are excluded, or a pharmaceutically acceptable salt or solvate thereof. The invention also relates to pharmaceutical compositions comprising said 9-azabicyclo[3.3.1]nonane derivatives and to their use in therapy.
  [FR] La présente invention concerne un dérivé de 9-azabicyclo[3.3.1]nonane de formule (I), dans laquelle R¹ est H ou un C_1-5alkyle ; X est O ou NR², dans laquelle R² est H, un C_1-5alkyle ou un C_2-5acyle et Ar est un C_6-10aryle ou un système de cycle hétéroaryle de 5 à 10 chaînons, les deux portant facultativement une substitution par de un à trois parmi R³ à R⁵ indépendamment choisis parmi un halogène, un C_1-5alkyle, un C_1-5alcoxy, un C_3-6cycloalkyle, un C_2-5alkényle, un C_2-5alkynyle, CN, NO₂, un hydroxy, un phényl, un phénoxy et un phénylC_1-2alcoxy, lesdits C_1-5alkyle et C_1-5alcoxy portant facultativement une substitution par de un à trois halogènes et lesdits phényle, phénoxy et phénylC_1-2alcoxy portant facultativement une substitution par de un à trois substituants indépendamment choisis parmi un halogène et un méthyle ou deux parmi R³ à R⁵ en des positions adjacentes formant ensemble une unité méthylène dioxy ou propylène, à condition d'exclure les composés exo-9-méthyl-3-phénoxy-9-azabicyclo[3.3.1]nonane et N-(9-méthyl-9-azabicyclo[3.3.1]non-3-yl)-1H indazole-5-amine, ou un de leurs sels ou solvates pharmaceutiquement acceptables. L'invention concerne également des compositions pharmaceutiques comprenant lesdits dérivés de 9-azabicyclo[3.3.1]nonane et leur utilisation thérapeutique.