trans-4-(aminomethyl)cyclohexanecarbonitrile | 13237-43-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: trans-4-(aminomethyl)cyclohexanecarbonitrile
• CAS: 13237-43-9
• 化学式: C₈H₁₄N₂
• 分子量: 138.213
• InChiKey: SSXMIBAFANQRTR-ZKCHVHJHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.28
• 重原子数：
  10.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  49.81
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  trans-4-(aminomethyl)cyclohexanecarbonitrile 在 盐酸 、 盐酸羟胺 、 sodium carbonate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Novel bicyclic lactam inhibitors of thrombin: highly potent and selective inhibitors

  摘要：

  The potency and selectivity of a previous series of low molecular weight thrombin inhibitors were improved through modifications of the P1 and P3 residues. Introduction of diphenyl substituted sulfonamides in the P3 moiety led to highly efficacious compounds. By correctly selecting the combination of P1 and P3 residues, high levels of potency, selectivity and in vivo efficacy were obtained. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00131-2
• 作为产物：
  描述：

  benzyl (((1r,4r)-4-cyanocyclohexyl)methyl)carbamate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 trans-4-(aminomethyl)cyclohexanecarbonitrile
  参考文献：
  名称：

  Novel bicyclic lactam inhibitors of thrombin: highly potent and selective inhibitors

  摘要：

  The potency and selectivity of a previous series of low molecular weight thrombin inhibitors were improved through modifications of the P1 and P3 residues. Introduction of diphenyl substituted sulfonamides in the P3 moiety led to highly efficacious compounds. By correctly selecting the combination of P1 and P3 residues, high levels of potency, selectivity and in vivo efficacy were obtained. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00131-2

文献信息

• Solid dispersions containing an apoptosis-inducing agent
  申请人：AbbVie Inc.

  公开号：US10213433B2

  公开（公告）日：2019-02-26

  A pro-apoptotic solid dispersion comprises, in essentially non-crystalline form, a Bcl-2 family protein inhibitory compound of Formula I as defined herein, dispersed in a solid matrix that comprises (a) a pharmaceutically acceptable water-soluble polymeric carrier and (b) a pharmaceutically acceptable surfactant. A process for preparing such a solid dispersion comprises dissolving the compound, the polymeric carrier and the surfactant in a suitable solvent, and removing the solvent to provide a solid matrix comprising the polymeric carrier and the surfactant and having the compound dispersed in essentially non-crystalline form therein. The solid dispersion is suitable for oral administration to a subject in need thereof for treatment of a disease characterized by overexpression of one or more anti-apoptotic Bcl-2 family proteins, for example cancer.

  一种促凋亡的固体分散体包括本文所定义的具有本文所述的化学式I的Bcl-2家族蛋白抑制化合物，以基本非晶态形式分散在包括（a）药学上可接受的水溶性聚合物载体和（b）药学上可接受的表面活性剂的固体基质中。制备这种固体分散体的方法包括在合适的溶剂中溶解化合物、聚合物载体和表面活性剂，并去除溶剂以提供包括聚合物载体和表面活性剂并在其中以基本非晶态形式分散有化合物的固体基质。这种固体分散体适用于口服给予需要治疗由一个或多个抗凋亡Bcl-2家族蛋白过度表达所特征的疾病的受试者，例如癌症。
• APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES
  申请人：Bruncko Milan

  公开号：US20100305122A1

  公开（公告）日：2010-12-02

  Disclosed are compounds which inhibit the activity of anti-apoptotic Bcl-2 proteins, compositions containing the compounds and methods of treating diseases during which is expressed anti-apoptotic Bcl-2 protein.

  揭示了抑制抗凋亡Bcl-2蛋白活性的化合物，含有这些化合物的组合物以及治疗在其中表达抗凋亡Bcl-2蛋白的疾病的方法。
• [EN] HETEROCYCLIC PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTÉINE KINASE HÉTÉROCYCLIQUES
  申请人：TOLERO PHARMACEUTICALS INC

  公开号：WO2013013188A1

  公开（公告）日：2013-01-24

  The present invention provides protein kinase having one of the following structures (I), (II) or (III): or a stereoisomer, prodrug, tautomer or pharmaceutically acceptable salt thereof, wherein R, R1, R2 and X are as defined herein. Compositions and methods for using the same in the treatment of cancer, autoimmune, inflammatory and other Pim kinase-associated conditions are also disclosed.

  本发明提供具有以下结构之一的蛋白激酶（I）、（II）或（III）：或其立体异构体、前药、互变异构体或药用可接受盐，其中R、R1、R2和X如本文所定义。还公开了在治疗癌症、自身免疫、炎症和其他Pim激酶相关疾病中使用这些蛋白激酶的组合物和方法。
• [EN] DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA<br/>[FR] INHIBITEURS DE ROR-GAMMA À BASE DE DIHYDROPYRROLOPYRIDINE
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2015116904A1

  公开（公告）日：2015-08-06

  Provided are novel compounds of Formula (I): pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORy. Also provided are pharmaceutical compositions comprising the novel compounds of Formula (I) and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.

  提供了化合物的新结构（I）：其药用盐以及药物组合物，可用于治疗由RORγ介导的疾病和紊乱。还提供了包含化合物的新结构（I）的药物组合物以及其在治疗一个或多个炎症、代谢、自身免疫和其他疾病或紊乱中的使用方法。
• MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT
  申请人：Birtalan Esther

  公开号：US20120108590A1

  公开（公告）日：2012-05-03

  A pro-apoptotic solid dispersion comprises, in essentially non-crystalline form, a Bcl-2 family protein inhibitory compound of Formula I as defined herein, dispersed in a solid matrix that comprises (a) a pharmaceutically acceptable water-soluble polymeric carrier and (b) a pharmaceutically acceptable surfactant. A process for preparing such a solid dispersion comprises subjecting to elevated temperature the compound of Formula I, the water-soluble polymeric carrier and the surfactant, to provide an extrudable semi-solid mixture; extruding the semi-solid mixture; and cooling the resulting extrudate to to provide a solid matrix comprising the polymeric carrier and the surfactant and having the compound dispersed in essentially non-crystalline form therein. The solid dispersion is suitable for oral administration to a subject in need thereof for treatment of a disease characterized by overexpression of one or more anti-apoptotic Bcl-2 family proteins, for example cancer or an immune or autoimmune disease.

  一种促凋亡的固态分散物包括本文所定义的化合物I公式的Bcl-2家族蛋白抑制剂，以基本非结晶形式分散在固态基质中，该基质包括（a）药学上可接受的水溶性聚合物载体和（b）药学上可接受的表面活性剂。制备这种固态分散物的过程包括将公式I的化合物、水溶性聚合物载体和表面活性剂暴露于高温下，以提供可挤出的半固体混合物；挤出半固体混合物；并冷却所得到的挤出物，以提供包含聚合物载体和表面活性剂的固态基质，并在其中分散化合物的基本非结晶形式。这种固态分散物适用于口服给予需要治疗由一个或多个抗凋亡Bcl-2家族蛋白过度表达所特征的疾病的患者，例如癌症或免疫或自身免疫性疾病。