3-methylidene-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane

• 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: 3-methylidene-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane
• 英文别名: (1S,5R)-8-benzyl-3-methylidene-8-azabicyclo[3.2.1]octane
• 化学式: C₁₅H₁₉N
• 分子量: 213.323
• InChiKey: WUCLLSJHONKDPU-GASCZTMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-methylidene-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane 在 二(3-甲基丁烷-2-基)硼烷 、 sodium hydroxide 、 双氧水 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 3.5h， 以65%的产率得到[(3-endo)-8-(phenylmethyl)-8-azabicyclo[3.2.1]oct-3-yl]methanol
  参考文献：
  名称：

  Heterocylic antiviral compounds

  摘要：

  这项发明涉及式I的哌啶衍生物，其中R1、R2、R3和R4如本文所定义，在治疗各种疾病中有用，包括那些涉及CCR5受体调节的疾病。目前这些衍生物可以治疗或预防的疾病包括HIV和遗传相关的逆转录病毒感染（以及由此导致的获得性免疫缺陷综合症，艾滋病），类风湿性关节炎，固体器官移植排斥（移植物抗宿主病），哮喘和慢性阻塞性肺病（COPD）。

  公开号：

  US20080249087A1
• 作为产物：
  描述：

  甲基三苯基溴化膦 、 N-benzylnortropinone 在 sodium amide 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以81%的产率得到3-methylidene-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane
  参考文献：
  名称：

  Heterocylic antiviral compounds

  摘要：

  这项发明涉及式I的哌啶衍生物，其中R1、R2、R3和R4如本文所定义，在治疗各种疾病中有用，包括那些涉及CCR5受体调节的疾病。目前这些衍生物可以治疗或预防的疾病包括HIV和遗传相关的逆转录病毒感染（以及由此导致的获得性免疫缺陷综合症，艾滋病），类风湿性关节炎，固体器官移植排斥（移植物抗宿主病），哮喘和慢性阻塞性肺病（COPD）。

  公开号：

  US20080249087A1

文献信息

• [EN] MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR MUSCARINIQUE D'ACETYLCHOLINE
  申请人：GLAXO GROUP LTD

  公开号：WO2006005057A3

  公开（公告）日：2006-09-28
• DIAZEPANE DERIVATIVES AND USES THEREOF
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20170145023A1

  公开（公告）日：2017-05-25

  The present disclosure provides compounds of Formula (I), and pharmaceutically compositions thereof. Compounds of Formula (I) have been found to bind bromodomains and/or bromodomain-containing proteins (e.g., bromo and extra terminal (BET) proteins). Also provided are methods, uses, and kits of the compounds and pharmaceutical compositions for inhibiting the activity (e.g., increased activity) of bromodomains and/or bromodomain-containing proteins and for treating and/or preventing in a subject diseases associated with bromodomains or bromodomain-containing proteins (e.g., proliferative diseases, cardiovascular diseases, viral infections, fibrotic diseases, neurological diseases, metabolic diseases, endocrine diseases, and radiation poisoning). The compounds, pharmaceutical compositions, and kits are also useful for male contraception.
• DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20170145013A1

  公开（公告）日：2017-05-25

  The present disclosure provides compounds of Formula (I), and pharmaceutically compositions thereof. Compounds of Formula (I) have been found to bind bromodomains and/or bromodomain-containing proteins (e.g., bromo and extra terminal (BET) proteins). Also provided are methods, uses, and kits of the compounds and pharmaceutical compositions for inhibiting the activity (e.g., increased activity) of bromodomains and/or bromodomain-containing proteins and for treating and/or preventing in a subject diseases associated with bromodomains or bromodomain-containing proteins (e.g., proliferative diseases, cardiovascular diseases, viral infections, fibrotic diseases, neurological diseases, metabolic diseases, endocrine diseases, and radiation poisoning). The compounds, pharmaceutical compositions, and kits are also useful for male contraception.
• US7625891B2
  申请人：——

  公开号：US7625891B2

  公开（公告）日：2009-12-01
• Heterocylic antiviral compounds
  申请人：Rotstein David Mark

  公开号：US20080249087A1

  公开（公告）日：2008-10-09

  This invention relates to piperidine derivatives of formula I wherein R 1 , R 2 , R 3 and R 4 are as defined herein useful in the treatment of a variety of disorders, including those in which the modulation of CCR5 receptors is implicated. Disorders that may be treated or prevented by the present derivatives include HIV and genetically related retroviral infections (and the resulting acquired immune deficiency syndrome, AIDS), rheumatoid arthritis, solid organ transplant reject (graft vs. host disease), asthma and COPD.

  这项发明涉及式I的哌啶衍生物，其中R1、R2、R3和R4如本文所定义，在治疗各种疾病中有用，包括那些涉及CCR5受体调节的疾病。目前这些衍生物可以治疗或预防的疾病包括HIV和遗传相关的逆转录病毒感染（以及由此导致的获得性免疫缺陷综合症，艾滋病），类风湿性关节炎，固体器官移植排斥（移植物抗宿主病），哮喘和慢性阻塞性肺病（COPD）。