3-(叔丁氧基羰基氨基)-3-甲基丁酸乙酯 | 130985-42-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-(叔丁氧基羰基氨基)-3-甲基丁酸乙酯
• 英文名称: ethyl 3-((tert-butoxycarbonyl)amino)-3-methylbutanoate
• 英文别名: ethyl 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
• CAS: 130985-42-1
• 化学式: C₁₂H₂₃NO₄
• 分子量: 245.319
• InChiKey: MXMKNMCSDWUFNV-UHFFFAOYSA-N

物化性质

• 沸点：
  329.6±25.0 °C(Predicted)
• 密度：
  1.011±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3-(叔丁氧基羰基氨基)-3-甲基丁酸乙酯 生成 N-Boc-3-氨基-3-甲基丁酸
  参考文献：
  名称：

  TRAISRIVONGS, SUVIT;PALS, DONALD T.;DUCHARME, DONALD W.;TURNER, STEVE R.;+, J. MED. CHEM., 34,(1991) N, C. 633-642

  摘要：

  DOI：
• 作为产物：
  描述：

  3-甲基-2-丁烯酸乙酯 在 氨 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 40.0h， 生成 3-(叔丁氧基羰基氨基)-3-甲基丁酸乙酯
  参考文献：
  名称：

  Renin inhibitory peptides. Incorporation of polar, hydrophilic end groups into an active renin inhibitory peptide template and their evaluation in a human renin-infused rat model and in conscious sodium-depleted monkeys

  摘要：

  We previously reported that Boc-Pro-Phe-N-MeHis-Leu-psi[CHOHCH2]?? -Ile-Amp (1) is a potent and specific inhibitor of human renin in vitro. It was shown to resist degradation by selected proteases and a rat liver homogenate. It was shown to inhibit plasma renin activity and to reduce blood pressure in renin-dependent-animal models both by the intravenous and by the oral routes using dilute citric acid as vehicle. In an effort to discover compounds with improved pharmacological efficacy, we set out to modify the physical characteristics of this highly lipophilic renin inhibitor by incorporation of hydrophilic end groups. We report here a variety of water-solubilizing groups and the resulting structure-activity relationship of these compounds. They all maintain an extremely high level of enzyme inhibitory activity in vitro. Evaluation of these potent renin inhibitors in a human renin infused rat model suggests that some of these compounds exhibit improved pharmacological efficacy in vivo. This observation was further confirmed in the conscious sodium-depleted cynomolgus monkey. Importantly, the oral efficacy was demonstrated in a water vehicle in the absence of citric acid.

  DOI：

  10.1021/jm00106a026

文献信息

• [EN] BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2<br/>[FR] COMPOSÉS DE PYRIMIDONE BICYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS DE LP-PLA2
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2014114249A1

  公开（公告）日：2014-07-31

  The present invention relates to novel pyrimido[1,6-a]pyrimidin-6(2H)-one compounds that inhibit Lp-PLA2 activity, processes for their preparation, to compositions containing them and to their use in the treatment of diseases associated with the activity of Lp-PLA2, for example atherosclerosis, Alzheimer's disease.

  本发明涉及一种新型的抑制Lp-PLA2活性的嘧啶并[1,6-a]嘧啶-6(2H)-酮化合物，以及其制备方法、含有它们的组合物和它们在治疗与Lp-PLA2活性相关的疾病，例如动脉粥样硬化、阿尔茨海默病等方面的用途。
• BICYCLIC PYRIMIDONE COMPOUNDS AS INHIBITORS OF LP-PLA2
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED

  公开号：US20150344485A1

  公开（公告）日：2015-12-03

  The present invention relates to novel pyrimido[1,6-a]pyrimidin-6(2H)-one compounds that inhibit Lp-PLA 2 activity, processes for their preparation, to compositions containing them and to their use in the treatment of diseases associated with the activity of Lp-PLA 2 , for example atherosclerosis, Alzheimer's disease.

  本发明涉及一种新型的嘧啶[1,6-a]嘧啶-6(2H)-酮化合物，可抑制Lp-PLA2活性，其制备过程，包含它们的组合物以及它们在治疗与Lp-PLA2活性相关的疾病，例如动脉粥样硬化、阿尔茨海默病等方面的用途。
• AMINOPYRAZOLONE DERIVATIVE
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP3109239A1

  公开（公告）日：2016-12-28

  The present invention is intended to provide a compound or a pharmacologically acceptable salt thereof which has an excellent inhibitory action on the ATPase activity of a TIP48/TIP49 complex and as such, is useful for the treatment of tumors. [Solution] The present invention provides a compound having a structure represented by the general formula (I) or a pharmacologically acceptable salt thereof, and a pharmaceutical composition comprising the compound. In the formula, R1, R2, R3, R4, R5, R6, R7, and W are as defined in the present specification.

  本发明旨在提供一种化合物或其药理学上可接受的盐，该化合物或其药理学上可接受的盐对 TIP48/TIP49 复合物的 ATPase 活性具有极佳的抑制作用，因此可用于治疗肿瘤。 [解决方案］ 本发明提供了一种具有通式（I）所代表结构的化合物或其药理学上可接受的盐，以及包含该化合物的药物组合物。式中，R1、R2、R3、R4、R5、R6、R7 和 W 如本说明书中所定义。
• EP3109239
  申请人：——

  公开号：——

  公开（公告）日：——
• TRAISRIVONGS, SUVIT;PALS, DONALD T.;DUCHARME, DONALD W.;TURNER, STEVE R.;+, J. MED. CHEM., 34,(1991) N, C. 633-642
  作者：TRAISRIVONGS, SUVIT、PALS, DONALD T.、DUCHARME, DONALD W.、TURNER, STEVE R.、+

  DOI：——

  日期：——