7-Aza-bicyclo[2.2.1]heptane-7-carbonyl chloride | 861406-07-7

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: 7-Aza-bicyclo[2.2.1]heptane-7-carbonyl chloride
• 英文别名: 7-Azabicyclo[2.2.1]heptane-7-carbonyl chloride
• CAS: 861406-07-7
• 化学式: C₇H₁₀ClNO
• 分子量: 159.615
• InChiKey: HWCHBLKQZPTVFW-UHFFFAOYSA-N

物化性质

• 沸点：
  262.3±7.0 °C(Predicted)
• 密度：
  1.303±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7-Aza-bicyclo[2.2.1]heptane-7-carbonyl chloride 、 青霉素 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.17h， 生成 7-Aza-bicyclo[2.2.1]heptane-7-carboxylic acid 9-((S)-1-hydroxy-3-methyl-butyl)-8-methoxy-3-methyl-7-oxo-5H,7H-6,12-dioxa-dibenzo[a,d]cycloocten-1-yl ester
  参考文献：
  名称：

  Dibenzodioxocinones—A new class of CETP inhibitors

  摘要：

  Derivatives of the natural product 11-hydroxy-3-[(S)-1-hydroxy-3-methylbutyl]-4-methoxy-9-methyl-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one 1 were studied as novel CETP inhibitors. Compound 2 was identified from HTS as a micromolar inhibitor. The compound suffered from very low stability in plasma. Optimisation by partial synthesis started from 1 and led to low-nanomolar inhibitors with good stability in rat plasma. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.073

文献信息

• BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP3505171A1

  公开（公告）日：2019-07-03

  The present invention provides: a novel use of a specific bicyclic nitrogen-containing heterocyclic compound as a PDE7 inhibitor; a novel bicyclic nitrogen-containing heterocyclic compound having a PDE7 inhibitory effect, a method for producing the compound, a use of the compound, and a pharmaceutical composition containing the PDE7 inhibitor or the compound; and others. More specifically, the present invention provides a PDE7 inhibitor containing the compound represented by the formula (I): [wherein the symbols have the same meanings as those described in the description] or a pharmaceutically acceptable salt thereof as an active ingredient.

  本发明提供了：一种特定含双环氮杂环化合物作为PDE7抑制剂的新用途；一种具有PDE7抑制作用的新型含双环氮杂环化合物、一种生产该化合物的方法、一种该化合物的用途以及一种含有该PDE7抑制剂或该化合物的药物组合物；以及其他。更具体地说，本发明提供了一种含有由式（I）代表的化合物的 PDE7 抑制剂： [其中符号的含义与描述中的符号相同]或其药学上可接受的盐作为活性成分的 PDE7 抑制剂。