tert-butyl N-[(4-cyanocyclohexyl)methyl]carbamate | 473923-79-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl N-[(4-cyanocyclohexyl)methyl]carbamate
• 英文别名: trans-(4-cyanocyclohexylmethyl)carbamic acid tert-butyl ester；tert-butyl (trans-4-(cyanomethyl)cyclohexyl)methylcarbamate；(4-cyanocyclohexylmethyl)carbamic acid tert-butyl ester；tert-butyl trans-4-cyanocyclohexylmethylcarbamate
• CAS: 473923-79-4
• 化学式: C₁₃H₂₂N₂O₂
• mdl: MFCD09749844
• 分子量: 238.33
• InChiKey: KOFJDBKWKCOOLP-XYPYZODXSA-N

物化性质

• 沸点：
  384.0±15.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.26
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.846
• 拓扑面积：
  62.12
• 氢给体数：
  1.0
• 氢受体数：
  2.0

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[(4-cyanocyclohexyl)methyl]carbamate 在 lithium hydroxide monohydrate 、 palladium 10% on activated carbon 、 氢气 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 20.0h， 以95%的产率得到tert-butyl N-[[4-(aminomethyl)cyclohexyl]methyl]carbamate
  参考文献：
  名称：

  MOBILIZING CELLS EXPRESSING A TYPE 4 CXC CHEMOKINE RECEPTOR WITH 4-AMINO PYRIMIDINE COMPOUNDS

  摘要：

  一种通过将表达第4型CXC趋化因子受体的细胞与下式（I）所示的化合物的有效量接触，将其动员到周围循环中的方法（公式中的每个变量在说明书中定义）：该方法可用于治疗癌症和心肌梗死。

  公开号：

  US20160090394A1
• 作为产物：
  描述：

  benzyl N-[(4-carbamoylcyclohexyl)methyl]carbamate 在 palladium on activated charcoal N-甲基吗啉 、 氯化亚砜 、 氢气 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 tert-butyl N-[(4-cyanocyclohexyl)methyl]carbamate
  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。
• 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT
  申请人：KAKEN PHARMACEUTICAL CO., LTD.

  公开号：US20160130232A1

  公开（公告）日：2016-05-12

  There are provided 4-alkynylimidazole derivatives represented by the following general formula (I) or phamaceutically acceptable salts thereof; the derivatives have a superior EP4 receptor antagonistic action and are useful as pharmaceuticals for the treatment of diseases associated with the EP4 receptor, for example, as anti-inflammatory and/or analgesic drugs for inflammatory diseases and diseases that involve various kinds of pains, and further as pharmaceuticals for the treatment of immune diseases that result from inflammations as evoked by tissue destruction due to the activation of Th1 cells and/or Th17 cells:

  提供了以下一般式(I)所代表的4-炔基咪唑衍生物或其药用盐；这些衍生物具有优越的EP4受体拮抗作用，可用作治疗与EP4受体相关的疾病的药物，例如，作为抗炎和/或镇痛药物，用于治疗炎症性疾病和涉及各种疼痛的疾病，进一步作为治疗由于Th1细胞和/或Th17细胞激活引起的组织破坏所致的炎症导致的免疫性疾病的药物：
• Heterocyclic Compounds
  申请人：Yen Chi-Feng

  公开号：US20090264339A1

  公开（公告）日：2009-10-22

  This invention relates to heterocyclic compounds of the formulas shown in the specification. It also relates to methods for treating inflammatory diseases or immune diseases, developmental or degenerative diseases, and tissue injuries with one of the heterocyclic compounds.

  这项发明涉及规范中所示的异环化合物。它还涉及使用其中一种异环化合物治疗炎症性疾病或免疫性疾病、发育性或退行性疾病以及组织损伤的方法。
• 4-알키닐이미다졸 유도체 및 그것을 유효 성분으로서 함유하는 의약
  申请人：KAKEN PHARMACEUTICAL CO., LTD. 가껭세이야꾸가부시기가이샤(519952409889)

  公开号：KR20160018745A

  公开（公告）日：2016-02-17

  우수한 EP4 수용체 길항 작용을 갖고, EP4 수용체가 관련된 질환의 처치용 의약, 예를 들어 염증성 질환이나 여러 가지 동통을 수반하는 질환의 소염 및/또는 진통약, 또한 Th1 세포 및/또는 Th17 세포가 활성화되어, 조직 파괴가 발생하여 염증이 야기됨으로써 생기는 면역성 질환의 처치용 의약으로서 유용한 하기 일반식 (I) 로 나타내는 4-알키닐이미다졸 유도체 혹은 그 약리학적으로 허용되는 염을 제공한다. [화학식 1]

  具有优异的EP4受体拮抗作用，EP4受体相关的治疗疾病的药物，例如用于治疗炎症性疾病或伴有多种疼痛的疾病的抗炎和/或镇痛药物，同时也激活Th1细胞和/或Th17细胞，导致组织破坏引起炎症导致的免疫性疾病的治疗药物，提供4-烷基咪唑衍生物或其药理学上可接受的盐，如下所示的通用式(I)。【化学式1】
• A convenient new procedure for converting primary amides into nitriles
  作者：Chun-Wei Kuo、Jia-Liang Zhu、Jen-Dar Wu、Cheng-Ming Chu、Ching-Fa Yao、Kak-Shan Shia

  DOI：10.1039/b614061k

  日期：——

  An operationally simple and high-yielding procedure has been developed for the conversion of primary amides to the corresponding nitriles, using ethyl dichlorophosphate/DBU as the mild dehydrating agent.

  使用二氯磷酸乙酯/ DBU作为温和的脱水剂，已开发出一种操作简单且产率高的程序，可将伯酰胺转化为相应的腈。