6-氨基-2-氮杂双环[2.2.1]庚烷-2-羧酸叔丁酯 | 1005077-74-6

• 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: 6-氨基-2-氮杂双环[2.2.1]庚烷-2-羧酸叔丁酯
• 英文名称: tert-butyl 6-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate
• CAS: 1005077-74-6
• 化学式: C₁₁H₂₀N₂O₂
• mdl: MFCD09040750
• 分子量: 212.292
• InChiKey: WDLJVXLPYIOWOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  294.8±23.0 °C(Predicted)
• 密度：
  1.111±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.909
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-氨基-2-氮杂双环[2.2.1]庚烷-2-羧酸叔丁酯 在 potassium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.67h， 生成 1-(6-((2-chloro-6-fluoropyrimidin-4-yl)amino)-2-azabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-one
  参考文献：
  名称：

  [EN] HETEROARYL COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS HÉTÉROARYLE ET LEURS UTILISATIONS

  摘要：

  本发明提供了化合物、其药学上可接受的组合物，以及使用它们的方法。现在已经发现，本发明的化合物及其药学上可接受的组合物作为一种或多种蛋白激酶的抑制剂是有效的。这些化合物具有通式I或其药学上可接受的盐，其中环A、环B、W、Ry、R3和R4如本文所定义。

  公开号：

  WO2016090079A1

文献信息

• [EN] METALLO-BETA-LACTAMASE INHIBITORS<br/>[FR] INHIBITEURS DE MÉTALLO-BÊTA-LACTAMASES
  申请人：MERCK SHARP & DOHME

  公开号：WO2016206101A1

  公开（公告）日：2016-12-29

  The present invention relates to compounds of formula I that are metallo-β-lactamase inhibitors, the synthesis of such compounds, and the use of such compounds for use with β-lactam antibiotics for overcoming resistance.

  本发明涉及一种属于金属β-内酰胺酶抑制剂的I式化合物，以及这种化合物的合成和将其与β-内酰胺类抗生素一起用于克服耐药性的用途。
• [EN] INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL<br/>[FR] INHIBITEURS DU CANAL POTASSIQUE MÉDULLAIRE EXTERNE RÉNAL
  申请人：MERCK SHARP & DOHME

  公开号：WO2013066717A1

  公开（公告）日：2013-05-10

  This invention relates to compounds of Formula I having the following general structure: and pharmaceutically acceptable salts thereof which are inhibitors of the Renal Outer Medullary Potassium (ROMK) channel (Kir1.1). The compounds are useful as diuretics and natriuretics and therefore are useful for the therapy and prophylaxis of disorders resulting from excessive salt and water retention, including cardiovascular diseases such as hypertension and chronic and acute heart failure.

  本发明涉及具有以下一般结构的Formula I化合物：及其药用可接受的盐，这些化合物是肾外髓钾（ROMK）通道（Kir1.1）的抑制剂。这些化合物可用作利尿剂和排钠剂，因此可用于治疗和预防由过多盐分和水分潴留引起的疾病，包括高血压和慢性和急性心力衰竭等心血管疾病。
• BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE
  申请人：Lampe John W.

  公开号：US20110144150A1

  公开（公告）日：2011-06-16

  The present invention is directed to synthetic bridged bicyclic compounds that are inhibitors of rho-associated protein kinase. The present invention is also directed to pharmaceutical compositions comprising such compounds and a pharmaceutically acceptable carrier. The invention is additionally directed to a method of preventing or treating diseases or conditions associated with cytoskeletal reorganization. The method comprises administering to a subject a therapeutically effective amount of a Rho kinase inhibitory compound of Formula I, wherein said amount is effective to influence the actomyosin interactions, for example, by leading to cellular relaxation and alterations in cell-substratum adhesions. In one embodiment, the method treats increased intraocular pressure, such as primary open-angle glaucoma. In another embodiment, the method treats diseases or conditions of the lung associated with excessive cell proliferation, remodeling, inflammation, vasoconstriction, bronchoconstriction, airway hyperreactivity and edema.

  本发明涉及一种合成的桥接双环化合物，该化合物是rho相关蛋白激酶的抑制剂。本发明还涉及包括这些化合物和药用可接受载体的药物组合物。此外，本发明还涉及一种预防或治疗与细胞骨架重组相关的疾病或症状的方法。该方法包括向受试者施用一定量的具有治疗作用的公式I的Rho激酶抑制剂化合物，其中该量有效地影响肌动蛋白互作，例如，通过导致细胞松弛和细胞-基质粘附的改变。在一种实施方式中，该方法治疗增加的眼内压，如原发性开角青光眼。在另一种实施方式中，该方法治疗与肺部细胞过度增殖、重塑、炎症、血管收缩、支气管收缩、气道高反应性和水肿相关的疾病或症状。
• BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND USE
  申请人：Lampe John W.

  公开号：US20130281485A1

  公开（公告）日：2013-10-24

  The present invention is directed to synthetic bridged bicyclic compounds that are inhibitors of rho-associated protein kinase. The present invention is also directed to pharmaceutical compositions comprising such compounds and a pharmaceutically acceptable carrier. The invention is additionally directed to a method of preventing or treating diseases or conditions associated with cytoskeletal reorganization. The method comprises administering to a subject a therapeutically effective amount of a Rho kinase inhibitory compound of Formula I, wherein said amount is effective to influence the actomyosin interactions, for example, by leading to cellular relaxation and alterations in cell-substratum adhesions. In one embodiment, the method treats increased intraocular pressure, such as primary open-angle glaucoma. In another embodiment, the method treats diseases or conditions of the lung associated with excessive cell proliferation, remodeling, inflammation, vasoconstriction, bronchoconstriction, airway hyperreactivity and edema.

  本发明涉及一种合成的桥接双环化合物，它们是rho相关蛋白激酶的抑制剂。本发明还涉及包含这种化合物和药用载体的制药组合物。此外，本发明还涉及一种预防或治疗与细胞骨架重组相关的疾病或病症的方法。该方法包括向受试者施用一种公式I的Rho激酶抑制化合物的治疗有效量，其中该量对影响肌动蛋白相互作用有效，例如通过导致细胞松弛和细胞-基质附着的变化。在一种实施方式中，该方法治疗增加的眼压，例如原发性开角型青光眼。在另一种实施方式中，该方法治疗与过度细胞增殖、重塑、炎症、血管收缩、支气管收缩、气道高反应性和水肿相关的肺部疾病或病症。
• SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20150174129A1

  公开（公告）日：2015-06-25

  The present invention is directed to compounds of Formula I: wherein X is N or CR 1 ; Y is N or CR 2 ; R 1 is H, alkoxy, halo, triazolyl, pyrimidinyl, oxazolyl, isoxazole, oxadiazolyl, or pyrazolyl; R 2 is H, alkyl, alkoxy, or halo; Z is NH or O; R 3 is H, alkyl, alkoxy, halo, or triazolyl; R 4 is H or alkyl; or R 3 and R 4 , together with the atoms to which they are attached, form a 6-membered aryl ring or a 5- or 6-membered heteroaryl ring; R 5 is pyridyl, pyrazinyl, or pyrimidinyl, wherein the pyridyl, pyrazinyl, or pyrimidinyl is optionally substituted with halo or alkyl; and n is 1 or 2. Methods of making the compounds of Formula I are also described. The invention also relates to pharmaceutical compositions comprising compounds of Formula I. Methods of using the compounds of the invention are also within the scope of the invention.

  本发明涉及式I的化合物：其中X为N或CR1；Y为N或CR2；R1为H，烷氧基，卤素，三唑基，嘧啶基，噁唑基，异噁唑基，噻二唑基或吡唑基；R2为H，烷基，烷氧基或卤素；Z为NH或O；R3为H，烷基，烷氧基，卤素或三唑基；R4为H或烷基；或R3和R4与它们所连接的原子一起形成一个6元芳基环或5或6元杂芳基环；R5为吡啶基，吡嗪基或嘧啶基，其中吡啶基，吡嗪基或嘧啶基可以选择性地用卤素或烷基取代；n为1或2。本发明还描述了制备式I化合物的方法。本发明还涉及包含式I化合物的制药组合物。使用本发明中的化合物的方法也在本发明的范围内。