2-azaspiro[4.5]-decane-3-carboxylic acid | 94061-90-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 2-azaspiro[4.5]-decane-3-carboxylic acid
• 英文别名: 2-azaspiro[4,5]decane-3-carboxylic acid；2-azaspiro[4.5]decane-3-carboxylic acid
• CAS: 94061-90-2
• 化学式: C₁₀H₁₇NO₂
• 分子量: 183.25
• InChiKey: QATSWWZBTBBYRX-UHFFFAOYSA-N

物化性质

• 沸点：
  341.0±35.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-azaspiro[4.5]-decane-3-carboxylic acid 生成 2-Aza-spiro[4.5]decane-3-carboxylic acid benzyl ester
  参考文献：
  名称：

  TEETZ, V.;URBACH, H.;BECKER, R.

  摘要：

  DOI：
• 作为产物：
  描述：

  环己甲腈 在 盐酸 、 正丁基锂 、 sodium 、 二乙胺 作用下， 以 乙醇 、 正己烷 、 水 、 溶剂黄146 为溶剂， 反应 35.0h， 生成 2-azaspiro[4.5]-decane-3-carboxylic acid
  参考文献：
  名称：

  非天然氨基酸的合成：螺[4.5] -2-氮杂-癸烷-3-羧酸

  摘要：

  螺[4.n] -2-氮杂-烷烃-羧酸代表具有增加的亲脂性的大体积脯氨酸类似物。它们很容易从环状腈中获得，方法是与溴乙醛缩醛进行烷基化，还原成相应的胺，环化成亚胺以及随后的Strecker合成。

  DOI：

  10.1016/s0040-4039(01)81472-6

文献信息

• [EN] PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS<br/>[FR] COMPOSÉS PHARMACEUTIQUES POUR LE TRAITEMENT DE TROUBLES MÉDIÉS PAR LE COMPLÉMENT
  申请人：ACHILLION PHARMACEUTICALS INC

  公开号：WO2020198062A1

  公开（公告）日：2020-10-01

  This disclosure provides pharmaceutical compounds to treat medical disorders, such as complement-mediated disorders, including complement Cl -mediated disorders.

  这份披露提供了用于治疗医学疾病的药物化合物，例如包括补体介导的疾病在内的补体Cl-介导的疾病。
• Novel heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists
  申请人：——

  公开号：US20020065391A1

  公开（公告）日：2002-05-30

  The present invention relates to compounds of the formula I 1 which are inhibitors of the adhesion and migration of leucocytes and/or antagonists of the adhesion receptor VLA-4 which belongs to the group of integrins. The invention also relates to processes for their preparation, to the use of compounds of the formula I for the treatment or prophylaxis of diseases which are caused by an undesired extent of leucocyte adhesion and/or leucocyte migration or which are associated therewith or in which cell-cell or cell-matrix interactions which are based on interactions of VLA-4 receptors with their ligands play a part, for example of inflammatory processes, of rheumatoid arthritis or of allergic disorders, and also to the use of compounds of the formula I for the production of pharmaceuticals for use in such diseases, and to pharmaceutical preparations which contain the compounds of the formula I.

  本发明涉及式I的化合物，该化合物是白细胞粘附和迁移的抑制剂和/或属于整合素群的粘附受体VLA-4的拮抗剂。该发明还涉及它们的制备方法，化合物式I用于治疗或预防由于白细胞粘附和/或白细胞迁移的不良程度引起的疾病，或与之相关的疾病，或基于VLA-4受体与其配体相互作用而发挥作用的细胞-细胞或细胞-基质相互作用的疾病，例如炎症过程、类风湿关节炎或过敏性疾病，以及化合物式I用于生产用于此类疾病的药物，以及含有化合物式I的药物制剂。
• 5-Membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US20040220148A1

  公开（公告）日：2004-11-04

  Compounds of the formula I 1 in which B, D, E, R, W, Y, Z, b, c, d, e, f, g and h have the meanings indicated in the claims, are inhibitors of the adhesion and migration of leucocytes and/or antagonists of the adhesion receptor VLA-4 which belongs to the group of integrins. The invention relates to the use of compounds of the formula I and of pharmaceutical preparations which contain such compounds for the treatment and prophylaxis of diseases which are caused by an undesired extent of leucocyte adhesion and/or leucocyte migration or which are associated therewith or in which cell-cell or cell-matrix interactions which are based on interactions of VLA-4 receptors with their ligands play a part, for example of inflammatory processes, of rheumatoid arthritis or of allergic disorders, and it also relates to the use of compounds of the formula I for the production of pharmaceuticals for use in such diseases. It further relates to novel compounds of the formula I.

  公式I中B、D、E、R、W、Y、Z、b、c、d、e、f、g和h具有索引中指示的含义，是白细胞粘附和迁移的抑制剂和/或属于整合素群的粘附受体VLA-4的拮抗剂。本发明涉及公式I化合物的使用以及含有这种化合物的药物制剂，用于治疗和预防由白细胞粘附和/或白细胞迁移的不良程度引起的疾病，或与之相关的疾病，或基于VLA-4受体与其配体相互作用的细胞-细胞或细胞-基质相互作用在其中起作用的炎症过程、类风湿关节炎或过敏性疾病等，还涉及公式I化合物用于生产用于治疗此类疾病的药物。此外，还涉及公式I的新化合物。
• Process for the preparation of monocyclic, bicyclic and tricyclic
  申请人：Hoechst Aktiengesellschaft

  公开号：US04691022A1

  公开（公告）日：1987-09-01

  The invention relates to a process for the preparation of compounds of the formula I ##STR1## in which R represents hydrogen, alkyl or aralkyl, and R.sup.1 to R.sup.6 denote identical or different radicals hydrogen, alkyl, cycloalkyl, cycloalkylalkyl, cycloalkenylalkyl, aralkyl or aryl, both being monosubstituted, disubstituted or trisubstituted in the aryl moiety by alkyl, alkoxy, hydroxyl, halogen, nitro, methylenedioxy and/or cyano, or in which two of the radicals R.sup.1 to R.sup.6, together with the carbon atom(s) bearing them form a monocyclic or bicyclic ring system, and the remaining radicals are hydrogen, which process comprises converting, with an oxidizing agent in the presence of a silver salt, a pyrrolidine derivative of the formula II into a .DELTA..sup.1 -pyrroline derivative of the formula III, reacting the latter with hydrogen cyanide or a metal cyanide to form a nitrile of the formula IV, and subjecting the latter to solvolysis with a compound of the formula ROH.

  该发明涉及一种制备公式I化合物的过程，其中R代表氢，烷基或芳基烷基，R.sup.1至R.sup.6表示相同或不同的基团，是氢，烷基，环烷基，环烷基烷基，环烯基烷基，芳基烷基或芳基，两者在芳基部分被烷基，烷氧基，羟基，卤素，硝基，亚甲二氧基和/或氰基单取代，双取代或三取代，或其中R.sup.1至R.sup.6的两个基团与它们所带的碳原子形成单环或双环环系，其余基团是氢，该过程包括在银盐存在下，使用氧化剂将公式II的吡咯烷衍生物转化为公式III的.DELTA..sup.1-吡咯烯衍生物，将后者与氰化氢或金属氰化物反应形成公式IV的腈，然后使用公式ROH的化合物进行溶剂解。
• Novel imidazolidine derivatives, their preparation and their use
  申请人：——

  公开号：US20030109497A1

  公开（公告）日：2003-06-12

  The present invention relates to novel imidazolidine derivatives of the formula I, 1 in which B, E, W, Y, R, R 2 , R 3 , R 30 , e and h have the meanings given herein. The compounds of the formula I are valuable pharmaceutically active compounds which are suitable, for example, for treating inflammatory diseases, for example, rheumatoid arthritis, or allergic diseases. The compounds of the formula I are inhibitors of the adhesion and migration of leukocytes and/or antagonists of the adhesion receptor VLA-4, which belongs to the integrin group. They are generally suitable for treating diseases which are caused by, or associated with, an undesirable degree of leukocyte adhesion and/or leukocyte migration or in which cell-cell or cell-matrix interactions, which are based on the interactions of VLA-4 receptors with their ligands, play a role. The invention furthermore relates to processes for preparing the compounds of the formula I, to their use and to pharmaceutical preparations which comprise compounds of the formula I.

  本发明涉及公式I的新型咪唑啉衍生物，其中B、E、W、Y、R、R2、R3、R30、e和h的含义如本文所述。公式I的化合物是有价值的药物活性化合物，例如，适用于治疗炎症性疾病，例如类风湿性关节炎或过敏性疾病。公式I的化合物是白细胞的黏附和迁移的抑制剂和/或黏附受体VLA-4的拮抗剂，该受体属于整合素组。它们通常适用于治疗由白细胞黏附和/或白细胞迁移的不良程度引起或与之相关的疾病，或在其中基于VLA-4受体与其配体的相互作用的细胞-细胞或细胞-基质相互作用发挥作用。此外，本发明还涉及制备公式I的化合物的方法，它们的用途以及包括公式I的化合物的制药制剂。