(S)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-7α-yl)-4-amino-5-chloro-2-(1-methyl-2-butynyl)oxybenzamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-7α-yl)-4-amino-5-chloro-2-(1-methyl-2-butynyl)oxybenzamide
• 英文别名: 4-amino-5-chloro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-[(2S)-pent-3-yn-2-yl]oxybenzamide
• 化学式: C₂₀H₂₆ClN₃O₃
• 分子量: 391.898
• InChiKey: KHXICIJYVZQCLA-NAOUJUTFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  76.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (S)-4-amino-5-chloro-2-(1-methyl-2-butynyl)oxybenzoic acid 、 3α-amino-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane dihydrochloride 、 氯甲酸乙酯 生成 (S)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-7α-yl)-4-amino-5-chloro-2-(1-methyl-2-butynyl)oxybenzamide
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Aminobenzoic acid derivatives
  申请人：Eisai Co., Ltd.

  公开号：EP0645391A2

  公开（公告）日：1995-03-29

  To provide a compound which exhibits a serotonin antagonism and an acetylcholine release accelerating activity at a well-balanced activity ratio. An aminobenzoic acid derivative represented by the general formula (I) or (II) or a pharmacologically acceptable salt thereof: [wherein R1 represents a group represented by the formula: etc., wherein A represents a group represented by formula -CH2-X-CH2- (wherein X represents O, >N-R6 or >CHR7 (wherein R6 represents lower alkyl and R7 represents hydrogen or lower alkoxy)), etc.; D and E each represents a group represented by formula -(CH2)3-, etc., and R2 represents lower alkyl, etc.}; R9 represents alkynyl; R10 represents amino, etc.; R11 represents halogen; R12 and R13 each represent lower alkyl; a is an integer of 1 to 5; and b is an integer of 0 to 5].

  提供一种化合物，该化合物具有5-羟色胺拮抗活性和乙酰胆碱释放加速活性，且活性比非常均衡。一种由通式（I）或（II）代表的氨基苯甲酸衍生物或其药理学上可接受的盐： [其中 R1 代表由式(I)或(II)表示的基团： 等，其中A代表由式-CH2-X- -(其中X代表O，>N-R6或>CHR7(其中R6代表低级烷基，R7代表氢或低级烷氧基))等代表的基团；D和E各自代表由式-( )3-等代表的基团、和 R2 代表低级烷基等}；R9 代表炔基；R10 代表氨基等；R11 代表卤素；R12 和 R13 各自代表低级烷基；a 是 1 至 5 的整数；b 是 0 至 5 的整数]。
• Benzamide derivatives
  申请人：Eisai Co., Ltd.

  公开号：EP0645391B1

  公开（公告）日：2001-11-21
• Novel methods using aminobenzoic acid compounds
  申请人：Barth Jay

  公开号：US20070015789A1

  公开（公告）日：2007-01-18

  The invention provides safe and effective methods for treating and/or preventing gastrointestinal disorders, psychiatric disorders, learning disabilities, Tourette's syndrome, obesity, epilepsy, post-menopausal syndrome, pre-menstrual syndrome, asthma, laryngitis and/or migraines by administering to a patient in need thereof at least one aminobenzoic acid compound. The aminobenzoic acid compound can optionally be administered in combination with other medications that are useful for the disease being treated.
• US5658925A
  申请人：——

  公开号：US5658925A

  公开（公告）日：1997-08-19
• [EN] NOVEL METHODS USING AMINOBENZOIC ACID COMPOUNDS<br/>[FR] NOUVELLES METHODES METTANT EN APPLICATION DES COMPOSES D'ACIDE AMINOBENZOIQUE
  申请人：EISAI CO LTD

  公开号：WO2005007600A2

  公开（公告）日：2005-01-27

  The invention provides safe and effective methods for treating and/or preventing gastrointestinal disorders, psychiatric disorders, learning disabilities, Tourette’s syndrome, obesity, epilepsy, post-menopausal syndrome, pre-menstrual syndrome, asthma, laryngitis and/or migraines by administering to a patient in need thereof at least one aminobenzoic acid compound. The aminobenzoic acid compound can optionally be administered in combination with other medications that are useful for the disease being treated.