1,1'-联(环戊基)-2-胺 | 114098-90-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1,1'-联(环戊基)-2-胺
• 英文名称: cis-bicyclopentyl-2-ylamine
• 英文别名: [1,1'-Bi(cyclopentane)]-2-amine；2-cyclopentylcyclopentan-1-amine
• CAS: 114098-90-7；61423-31-2
• 化学式: C₁₀H₁₉N
• 分子量: 153.268
• InChiKey: MYBGJAXNVXWOKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-tert-butoxy-2-isopropoxy-7-(R)-oxiranyl-benzothiazole 、 1,1'-联(环戊基)-2-胺 在 N,O-双三甲硅基乙酰胺 、 甲酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 42.5h， 生成 7-[(1R)-2-[(2-cyclopentylcyclopentyl)amino]-1-hydroxyethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one
  参考文献：
  名称：

  A physical properties based approach for the exploration of a 4-hydroxybenzothiazolone series of β2-adrenoceptor agonists as inhaled long-acting bronchodilators

  摘要：

  The chiral synthesis of a 4-hydroxybenzothiazolone based series of beta(2)-adrenoceptor agonists is described. Using this methodology a library of N-substituted analogues were prepared for the rapid identification of leads with the potential to be fast onset and long-acting inhaled bronchodilators with improved therapeutic margins. The design of the library to achieve the targeted profile was based upon lipophilicity and metabolism based hypotheses. This approach identified beta-phenethyl, alpha-substituted cyclopentyl and monoterpene N-substituents to be of particular interest for further evaluation, as exemplified by structures 19, 29 and 33, respectively. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.136

文献信息

• [EN] BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY<br/>[FR] DERIVES DE BENZOTHIAZOLE AYANT UNE ACTIVITE D'AGONISTE DU BETA-2-ADRENORECEPTEUR
  申请人：NOVARTIS AG

  公开号：WO2004016601A1

  公开（公告）日：2004-02-26

  Compounds of Formula (I) in free or salt or solvate form, wherein X has the meaning indicated in the specification, are useful for treating conditions that are prevented or alleviated by activation of the ß2-adrenoreceptor. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  公式(I)中的化合物以自由形式、盐或溶剂形式存在，其中X具有规范中指示的含义，可用于治疗通过激活β2-肾上腺素受体预防或缓解的症状。还描述了含有这些化合物的药物组合物以及制备这些化合物的方法。
• Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity
  申请人：Cuenoud Bernard

  公开号：US20060106075A1

  公开（公告）日：2006-05-18

  Compounds of formula (I) in free or salt or solvate form, wherein X has the meaning indicated in the specification, are useful for treating conditions that are prevented or alleviated by activation of the β 2 -adrenoreceptor. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  式(I)的化合物，包括自由形式、盐形式或溶剂合物形式，其中X的含义如规范中所示，可用于治疗通过激活β2-肾上腺素能受体预防或缓解的疾病。还描述了包含该化合物的制药组合物和制备该化合物的过程。
• 5-Hydroxy-Benzothiazole Derivatives Having Beta-2-Adrenoreceptor Agonist Activity
  申请人：Fairhurst Alec Robin

  公开号：US20080096940A1

  公开（公告）日：2008-04-24

  Compounds of formula (I) in free or salt or solvate form, wherein T has the meaning as indicated in the specification, are useful for treating conditions that are prevented or alleviated by activation of the β 2 -adrenoreceptor. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  式(I)的化合物，无论是自由的、盐的或溶剂的形式，其中T具有规范中所示的含义，可用于治疗通过激活β2-肾上腺素受体预防或缓解的疾病。还描述了含有这些化合物的制药组合物以及制备这些化合物的方法。
• 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY
  申请人：FAIRHURST Robin Alec

  公开号：US20120041041A1

  公开（公告）日：2012-02-16

  Compounds of formula (I) in free or salt or solvate form, wherein T has the meaning as indicated in the specification, are useful for treating conditions that are prevented or alleviated by activation of the β 2 -adrenoreceptor. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  式（I）的化合物，无论是自由形式、盐形式或溶剂化合物形式，其中T的含义如规范中所示，可用于治疗通过激活β2-肾上腺素能受体预防或缓解的病症。还描述了包含这些化合物的药物组成物和制备这些化合物的过程。
• ORGANIC COMPOUNDS
  申请人：CUENOUD Bernard

  公开号：US20150065490A1

  公开（公告）日：2015-03-05

  Compounds of formula I in free or salt or solvate form, wherein X has the meaning indicated in the specification, are useful for treating conditions that are prevented or alleviated by activation of the β 2 -adrenoreceptor. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  公式I的化合物，无论是自由形式、盐形式或溶剂形式，其中X的意义在说明书中指示，可用于治疗通过激活β2-肾上腺素受体预防或缓解的疾病。还描述了含有这些化合物的制药组合物以及制备这些化合物的过程。