1-叔丁氧基羰基氨基-4-氧代-环己烷羧酸 | 285996-76-1

• 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
• 中文名称: 1-叔丁氧基羰基氨基-4-氧代-环己烷羧酸
• 中文别名: 1-(BOC-氨基)-4-氧代环己甲酸；1-(Boc-氨基)-4-氧代环己甲酸
• 英文名称: 1-((tert-butoxycarbonyl)amino)-4-oxocyclohexanecarboxylic acid
• 英文别名: 1-(Boc-amino)-4-oxocyclohexanecarboxylic acid；1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclohexane-1-carboxylic acid
• CAS: 285996-76-1
• 化学式: C₁₂H₁₉NO₅
• 分子量: 257.287
• InChiKey: LFRYGIDGYXKHNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  1-叔丁氧基羰基氨基-4-氧代-环己烷羧酸 在 sodium tetrahydroborate 、 水 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 methyl cis-1-tert.-butoxycarbonylamino-4-methanesulphonyloxy-cyclohexanecarboxylate
  参考文献：
  名称：

  Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production

  摘要：

  本发明涉及一般式(I)的螺环杂环化合物，其包括其互变异构体、立体异构体、它们的混合物和盐，特别是与无机或有机酸形成的生理上可接受的盐，具有有价值的药理特性，特别是对酪氨酸激酶介导的信号传导具有抑制作用，其用于治疗疾病，特别是肿瘤性疾病以及良性前列腺增生（BPH）、肺部和气道疾病，以及其制备方法。

  公开号：

  US20110046148A1

文献信息

• Hepatitis C Virus Inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US20130183269A1

  公开（公告）日：2013-07-18

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组成物，以及抑制NS5A蛋白功能的方法。
• [EN] HEPATITIS C VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2017023631A1

  公开（公告）日：2017-02-09

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及可以抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组成物，以及抑制NS5A蛋白功能的方法。
• Design, Synthesis and Evaluation of 2,5-Diketopiperazines as Inhibitors of the MDM2-p53 Interaction
  作者：Mariell Pettersson、Maria Quant、Jaeki Min、Luigi Iconaru、Richard W. Kriwacki、M. Brett Waddell、R. Kiplin Guy、Kristina Luthman、Morten Grøtli

  DOI：10.1371/journal.pone.0137867

  日期：——

  The transcription factor p53 is the main tumour suppressor in cells and many cancer types have p53 mutations resulting in a loss of its function. In tumours that retain wild-type p53 function, p53 activity is down-regulated by MDM2 (human murine double minute 2) via a direct protein—protein interaction. We have designed and synthesised two series of 2,5-diketopiperazines as inhibitors of the MDM2-p53 interaction. The first set was designed to directly mimic the α-helical region of the p53 peptide, containing key residues in the i, i+4 and i+7 positions of a natural α-helix. Conformational analysis indicated that 1,3,6-trisubstituted 2,5-diketopiperazines were able to place substituents in the same spatial orientation as an α-helix template. The key step of the synthesis involved the cyclisation of substituted dipeptides. The other set of tetrasubstituted 2,5-diketopiperazines were designed based on structure-based docking studies and the Ugi multicomponent reaction was used for the synthesis. This latter set comprised the most potent inhibitors which displayed micromolar IC50-values in a biochemical fluorescence polarisation assay.

  转录因子p53是细胞中的主要肿瘤抑制因子，许多癌症类型中存在p53突变，导致其功能丧失。在保持野生型p53功能的肿瘤中，p53的活性通过MDM2（人类小鼠双分钟2）通过直接的蛋白-蛋白相互作用被下调。我们设计并合成了两系列2,5-二酮哌嗪，作为MDM2-p53相互作用的抑制剂。第一组是直接模拟p53肽的α-螺旋区域，包含天然α螺旋中i、i+4和i+7位置的关键氨基酸残基。构象分析表明，1,3,6-三取代的2,5-二酮哌嗪能够以与α-螺旋模板相同的空间取向放置取代基。合成的关键步骤是取代二肽的环化。另一组四取代的2,5-二酮哌嗪是基于结构基础的对接研究设计的，并采用Ugi多组分反应进行合成。这后一组包含了最有效的抑制剂，在生化荧光偏振测定中显示出微摩尔IC50值。
• Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production
  申请人：Himmelsbach Frank

  公开号：US20110046148A1

  公开（公告）日：2011-02-24

  The present invention relates to spirocyclic heterocycles of general formula (I) the tautomers, the stereoisomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids, which have valuable pharmacological properties, particularly an inhibitory effect on signal transduction mediated by tyrosine kinases, the use thereof for the treatment of diseases, particularly tumoral diseases as well as benign prostatic hyperplasia (BPH), diseases of the lungs and airways, and the preparation thereof.

  本发明涉及一般式(I)的螺环杂环化合物，其包括其互变异构体、立体异构体、它们的混合物和盐，特别是与无机或有机酸形成的生理上可接受的盐，具有有价值的药理特性，特别是对酪氨酸激酶介导的信号传导具有抑制作用，其用于治疗疾病，特别是肿瘤性疾病以及良性前列腺增生（BPH）、肺部和气道疾病，以及其制备方法。
• CYCLOHEXANE DERIVATIVES AND USES THEREOF
  申请人：BARNES David

  公开号：US20110136735A1

  公开（公告）日：2011-06-09

  The present invention provides a compound of formula I; a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了一种I式化合物；一种制造本发明化合物的方法及其治疗用途。本发明还提供了一种药理活性剂的组合和制药组合物。