3-氮杂双环[3.1.0]己烷-1-羧酸乙酯 | 63618-09-7

• 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-氮杂双环[3.1.0]己烷-1-羧酸乙酯
• 英文名称: (R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid ethyl ester
• 英文别名: ethyl 3-azabicyclo[3.1.0]hexane-1-carboxylate；ethyl 3-azabicyclo(3.1.0)hexane-1-carboxylate
• CAS: 63618-09-7
• 化学式: C₈H₁₃NO₂
• 分子量: 155.197
• InChiKey: KYOYTSMQIIGIRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  D-二苯甲酰酒石酸 、 3-氮杂双环[3.1.0]己烷-1-羧酸乙酯 以 甲醇 为溶剂， 以98.2%的产率得到
  参考文献：
  名称：

  [EN] PIPERIDINE BASED UREAS AS NK1 ANTAGONISTS
  [FR] URÉES À BASE DE PIPÉRIDINE EN TANT QU'ANTAGONISTES DU NK1

  摘要：

  该发明提供了化合物的结构式(I)或其药用可接受的盐，其中n为1或2；用于治疗对NK1受体拮抗有益的疾病。

  公开号：

  WO2010007032A1
• 作为产物：
  描述：

  乙基(1R)-3-苯甲基-3-氮杂二环[3.1.0]己烷-1-甲酸基酯盐酸 在 5%-palladium/activated carbon 、 氢气 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 3-氮杂双环[3.1.0]己烷-1-羧酸乙酯
  参考文献：
  名称：

  HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE

  摘要：

  本发明涉及具有以下式I的化合物及其药学上可接受的盐，其中R1、R2、R3、R5、R6、R7、R8、R9、B、V、W、X、Y、Z和m如本文所定义。该发明还涉及包含这些化合物的药物组合物，使用这些化合物治疗各种疾病和紊乱的方法，制备这些化合物的方法以及在这些过程中有用的中间体。

  公开号：

  US20160024059A1

文献信息

• [EN] PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE PYRROLO [1, 2-A] PYRAZINE ANTAGONISTES DES RÉCEPTEURS V1B DE LA VASOPRESSINE
  申请人：GLAXO GROUP LTD

  公开号：WO2009130231A1

  公开（公告）日：2009-10-29

  The present invention relates to novel compounds of formula (I) or salts thereof; wherein R is -X-[CH2]nCR4R5-Y; or a group G; R1 is H or C1 -C4 alkyl; R2 is aryl, heteroaryl or C3-C7 cycloalkyl, which may be substituted with one or more: halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, C1-C4 haloalkoxy, - CN; R3 is -CH2-C(=O)-NH-R6; X is -CR7R8-, -O-, -NR9-, -S-; Y is-NR10R11 R4 is H or C1 -C4 alkyl; R5 is H or C1 -C4 alkyl; R6 is C1-C6 alkyl, C3-C6 cycloalkyl; C3-C6 cycloalkyl- (C1 -C2 alkyl); which may be substituted by one or more halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, C1-C4 haloalkoxy; R7 is H or C1 -C4 alkyl; R8 is H or C1 -C4 alkyl; R9 is H or C1 -C4 alkyl; R10 is H or C1-C4 alkyl, or together with R11 forms a 4-8 saturated or unsaturated heterocycle ring which may comprise a further heteroatom selected from O, S and -NR12; such heterocycle may be substituted by one or more halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, C1-C4 haloalkoxy; R11 is H or C1 -C4 alkyl; R12 is H, C1-C6 alkyl, C3-C7 cycloalkyl; C3-C6 cycloalkyl- (C1 -C2 alkyl); which may be substituted by one or more halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, C1-C4 haloalkoxy; G is one of the groups selected from the list consisting of G1, G2, G3, G4, G5, G6, G7, G8, G9, G10, G11 and G12; R 13 is H or C1-C4 alkyl, or together with R14 forms a 4-8 saturated or unsaturated heterocycle ring which may comprise a further heteroatom selected from O, S and -NR24; such heterocycle may be substituted by one or more halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, C1-C4 haloalkoxy; R14 R16 is H, C1-C6 alkyl, C3-C7 cycloalkyl; C3-C6 cycloalkyl- (C1 -C2 alkyl); which may be substituted by one or more halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, C1-C4 haloalkoxy; R15, R 17 correspond to H or C1-C4 alkyl and may assume different meanings; R 18 is H or C1-C4 alkyl, or together with R17 forms a 4-8 saturated or unsaturated heterocycle ring which may comprise a further heteroatom selected from O, S and -NR25; such heterocycle may be substituted by one or more halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, C1-C4 haloalkoxy; R19, R20, R21, R22, R23, R24, R25 is H, C1-C6 alkyl, C3-C7 cycloalkyl; C3-C6 cycloalkyl- (C1 -C2 alkyl); which may be substituted by one or more halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, C1-C4 haloalkoxy; R26, R27, R28, R29 is H, C1-C6 alkyl, C3-C7 cycloalkyl; C3-C6 cycloalkyl- (C1 -C2 alkyl); which may be substituted by one or more halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, C1-C4 haloalkoxy; I, I' correspond to 1 or 2 and may assume different meanings; m, m', m", m"', mιv, mv correspond to 0, 1 or 2 and may assume different meanings; n is 1, 2 or 3; q is 1, 2 or 3; p, p', p", p'" correspond to 0, 1, 2 or 3 and may assume different meanings; processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as antagonists of V1b receptors, e.g. to treat depression and anxiety.

  本发明涉及以下式（I）的新化合物或其盐；其中R为-X-[ ]nCR4R5-Y；或者为基团G；R1为H或C1-C4烷基；R2为芳基、杂环芳基或C3-C7环烷基，可以被一个或多个卤素、C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷基、C1-C4卤代烷氧基取代；R3为-CH2-C（=O）-NH-R6；X为-CR7R8-、-O-、-NR9-、-S-；Y为-NR10R11；R4为H或C1-C4烷基；R5为H或C1-C4烷基；R6为C1-C6烷基、C3-C6环烷基；C3-C6环烷基-（C1-C2烷基）；可以被一个或多个卤素、C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷基、C1-C4卤代烷氧基取代；R7为H或C1-C4烷基；R8为H或C1-C4烷基；R9为H或C1-C4烷基；R10为H或C1-C4烷基，或者与R11一起形成一个含有O、S和-NR12等进一步杂原子的4-8饱和或不饱和杂环环；该杂环可以被一个或多个卤素、C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷基、C1-C4卤代烷氧基取代；R11为H或C1-C4烷基；R12为H、C1-C6烷基、C3-C7环烷基；C3-C6环烷基-（C1-C2烷基）；可以被一个或多个卤素、C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷基、C1-C4卤代烷氧基取代；G为从G1、G2、G3、G4、G5、G6、G7、G8、G9、G10、G11和G12的列表中选择的一种基团；R13为H或C1-C4烷基，或者与R14一起形成一个含有O、S和-NR24等进一步杂原子的4-8饱和或不饱和杂环环；该杂环可以被一个或多个卤素、C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷基、C1-C4卤代烷氧基取代；R14 R16为H、C1-C6烷基、C3-C7环烷基；C3-C6环烷基-（C1-C2烷基）；可以被一个或多个卤素、C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷基、C1-C4卤代烷氧基取代；R15、R17对应于H或C1-C4烷基，可能具有不同的含义；R18为H或C1-C4烷基，或者与R17一起形成一个含有O、S和-NR25等进一步杂原子的4-8饱和或不饱和杂环环；该杂环可以被一个或多个卤素、C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷基、C1-C4卤代烷氧基取代；R19、R20、R21、R22、R23、R24、R25为H、C1-C6烷基、C3-C7环烷基；C3-C6环烷基-（C1-C2烷基）；可以被一个或多个卤素、C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷基、C1-C4卤代烷氧基取代；R26、R27、R28、R29为H、C1-C6烷基、C3-C7环烷基；C3-C6环烷基-（C1-C2烷基）；可以被一个或多个卤素、C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷基、C1-C4卤代烷氧基取代；I、I'对应于1或2，可能具有不同的含义；m、m'、m"、m"'、mιv、mv对应于0、1或2，可能具有不同的含义；n为1、2或3；q为1、2或3；p、p'、p"、p"'对应于0、1、2或3，可能具有不同的含义；它们的制备方法、在这些方法中使用的中间体、含有它们的药物组合物以及它们作为V1b受体拮抗剂在治疗中的用途，例如用于治疗抑郁症和焦虑症。
• [EN] SPIRO CYCLOPENTANE COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1-RECEPTOR<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXO GROUP LTD

  公开号：WO2009016084A1

  公开（公告）日：2009-02-05

  This invention relates to novel spiro cyclopentane derivatives of formula (I) or a pharmaceutically acceptable salt thereof, for treating diseases and conditions of the central nervous system (CNS), in particular sleep disorders.

  该发明涉及公式（I）的新颖螺环戊烷衍生物或其药用盐，用于治疗中枢神经系统（CNS）的疾病和病症，特别是睡眠障碍。
• [EN] COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR L'AMÉLIORATION DE LA COGNITION, LEURS PROCÉDÉS DE FABRICATION, ET MÉTHODES DE TRAITEMENT
  申请人：MITHRIDION INC

  公开号：WO2011085406A1

  公开（公告）日：2011-07-14

  Disclosed are muscarinic agonist compounds including oxadiazole derivatives, compositions and preparations thereof. Also disclosed are methods of synthesizing such oxadiazole compounds. Further disclosed are methods for treating a subject with said muscarinic agonists or a pharmaceutically suitable form thereof to enhance cognitive function.

  揭示了包括噻唑二唑衍生物在内的肌碱激动剂化合物，以及其组合物和制剂。还揭示了合成这种噻唑二唑化合物的方法。进一步揭示了使用这些肌碱激动剂或其药学适宜形式来增强认知功能的治疗方法。
• TRICYCLIC COMPOUND
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP1939205A1

  公开（公告）日：2008-07-02

  The present invention relates to tricyclic compounds each represented by the following formula (I): (wherein, R1, R2, R2', R3, R4, X, Y and Z have the same meanings as defined in the specification); and a drug containing the compound. Since the compounds according to the present invention exhibit an excellent squalene synthetase inhibitory effect and cholesterol synthesis inhibitory effect so that they are useful as a drug such as preventive and/or remedy for diseases in mammals including humans such as hyperlipemia, e.g., hypercholesterolemia, hypertriglyceridemia, and low HDL cholesterolemia and/or arteriosclerosis.

  本发明涉及一种三环化合物，每种化合物由以下式（I）表示：（其中，R1、R2、R2'、R3、R4、X、Y和Z的含义与规范中定义的含义相同）；以及含有该化合物的药物。由于根据本发明的化合物表现出优异的角鲨烯合酶抑制作用和胆固醇合成抑制作用，因此它们可用作哺乳动物（包括人类）的疾病预防和/或治疗药物，例如高脂血症，如高胆固醇血症、高甘油三酯血症、低高密度脂蛋白胆固醇血症和/或动脉粥样硬化。
• [EN] PYRAZOLO [1, 5 -A] PYRAZINE DERIVATIVES AS ANTAGONISTS OF V1B RECEPTORS<br/>[FR] DÉRIVÉS DE PIRAZOLO [1, 5 -A] PYRAZINE, ANTAGONISTES DES RÉCEPTEURS V1B
  申请人：GLAXO GROUP LTD

  公开号：WO2009130232A1

  公开（公告）日：2009-10-29

  The present invention relates to novel compounds of formula (I) or salts thereof: wherein R is -X-[CH2]nCR4R5-Y; or a group G; G is one of the groups selected form the list consisting of G1, G2, G3, G4, G5, G6, G7, G8, G9, G10, G11 and G12, and the rest of the variables are as specified in the claims, processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as antagonists of V1b receptors, e.g. to treat depression and anxiety.

  本发明涉及公式(I)的新化合物或其盐：其中R为-X-[CH2]nCR4R5-Y；或一个基团G；G是从G1、G2、G3、G4、G5、G6、G7、G8、G9、G10、G11和G12的列表中选择的基团之一，其余变量如索赔中所述，以及其制备方法、用于这些方法的中间体、含有它们的药物组合物以及它们作为V1b受体拮抗剂在治疗中的用途，例如用于治疗抑郁症和焦虑症。