N-<1'-(6-Cyano-1,2,3,4-tetrahydronaphth-2(R)-yl)-3,4-dihydro-4-oxospiro<2H-1-benzopyran-2,4'-piperidin>-6-yl>methanesulfonamide monohydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N-<1'-(6-Cyano-1,2,3,4-tetrahydronaphth-2(R)-yl)-3,4-dihydro-4-oxospiro<2H-1-benzopyran-2,4'-piperidin>-6-yl>methanesulfonamide monohydrochloride
• 英文别名: N-[1'-[(2R)-6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydron;chloride
• 化学式: C₂₅H₂₇N₃O₄S*ClH
• 分子量: 502.034
• InChiKey: BASAUWFNEPUJDQ-ZMBIFBSDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.71
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-[1'-[(2R)-6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrolidin-1-ylspiro[chromene-2,4'-piperidine]-6-yl]methanesulfonamide 在 盐酸 作用下， 以 various solvent(s) 为溶剂， 生成 N-<1'-(6-Cyano-1,2,3,4-tetrahydronaphth-2(R)-yl)-3,4-dihydro-4-oxospiro<2H-1-benzopyran-2,4'-piperidin>-6-yl>methanesulfonamide monohydrochloride
  参考文献：
  名称：

  Asymmetric Synthesis of MK-0499

  摘要：

  Described herein is an efficient asymmetric synthesis of the potent antiarrhthymia agent MK-0499. The route is convergent and is highlighted by two stereoselective reactions. A ruthenium-catalyzed, enantioselective hydrogenation of an enamide was developed for the preparation of the key amine intermediate. Oxazaborolidine-mediated ketone reduction was utilized to establish the alcohol stereochemistry. Optimization of this chemistry led to an IPA modified reduction method which provides enhanced stereoselectivity.

  DOI：

  10.1021/jo00119a008

文献信息

• Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage
  申请人：Stephenson T. Diane

  公开号：US20050009733A1

  公开（公告）日：2005-01-13

  The present invention provides compositions and methods for the treatment of central nervous system damage in a subject. More particularly, the invention provides a combination therapy for the treatment of a central nervous system ischemic condition or a central nervous system traumatic injury comprising the administration to a subject of a potassium ion channel modulator in combination with a cyclooxygenase-2 selective inhibitor.

  本发明提供了治疗受试者中枢神经系统损伤的组合物和方法。更具体地说，本发明提供了一种用于治疗中枢神经系统缺血性疾病或中枢神经系统创伤性损伤的组合疗法，包括向受试者施用钾离子通道调节剂与环氧合酶-2 选择性抑制剂。
• US5382587A
  申请人：——

  公开号：US5382587A

  公开（公告）日：1995-01-17