ethyl-3-imino-3-methoxy propionate hydrochloride | 61125-03-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: ethyl-3-imino-3-methoxy propionate hydrochloride
• 英文别名: ethyl 3-methoxy-3-iminopropanoate hydrochloride；3-methoxy-3-imino propanoic acid ethyl ester hydrochloride；Ethyl 3-imino-3-methoxypropanoate hydrochloride；ethyl 3-imino-3-methoxypropanoate;hydrochloride
• CAS: 61125-03-9
• 化学式: C₆H₁₁NO₃*ClH
• 分子量: 181.619
• InChiKey: HIRHZXIWOYOYIP-UHFFFAOYSA-N

物化性质

• 熔点：
  88-90 °C

计算性质

• 辛醇/水分配系数(LogP)：
  0.99
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  59.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl-3-imino-3-methoxy propionate hydrochloride 在 盐酸 作用下， 反应 0.25h， 以69%的产率得到ethyl methyl malonate
  参考文献：
  名称：

  Kavalek, Jaromir; Panchartek, Josef; Potesil, Tomas, Collection of Czechoslovak Chemical Communications, 1986, vol. 51, # 3, p. 677 - 683

  摘要：

  DOI：
• 作为产物：
  描述：

  甲醇 、 氰乙酸乙酯 在 盐酸 作用下， 以 乙醚 为溶剂， 反应 20.75h， 生成 ethyl-3-imino-3-methoxy propionate hydrochloride
  参考文献：
  名称：

  Discovery of Hepatitis C Virus NS3-4A Protease Inhibitors with Improved Barrier to Resistance and Favorable Liver Distribution

  摘要：

  Given the emergence of resistance observed for the current clinical-stage hepatitis C virus (HCV) NS3 protease inhibitors, there is a need for new inhibitors with a higher barrier to resistance. We recently reported our rational approach to the discovery of macrocyclic acylsulfonamides as HCV protease inhibitors addressing potency against clinically relevant resistant variants. Using X-ray crystallography of HCV protease variant/inhibitor complexes, we shed light on the complex structural mechanisms by which the D168V and R155K residue mutations confer resistance to NS3 protease inhibitors. Here, we disclose SAR investigation and ADME/PK optimization leading to the identification of inhibitors with significantly Unproved potency against the key resistant variants and with increased liver partitioning.

  DOI：

  10.1021/jm400121t

文献信息

• Potential anxiolytic agents. 3. Novel A-ring modified pyrido[1,2-a]benzimidazoles
  作者：Bruce E. Maryanoff、Samuel O. Nortey、James J. McNally、Pauline J. Sanfilippo、David F. McComsey、Barry Dubinsky、Richard P. Shank、Allen B. Reitz

  DOI：10.1016/s0960-894x(99)00240-1

  日期：1999.6

  A variety of pyrido[1,2-a]benzimidazoles (PBIs) modified on the A-ring were prepared and evaluated for affinity to the benzodiazepine binding site on the GABA-A receptor and in animal models predictive of anxiolytic activity in humans. A-ring benzo-fused derivative 7 exhibited potent activity, as did the 6- and 7-pyrido compounds 3 and 4.

  制备了各种在A环上修饰的吡啶并[1,2-a]苯并咪唑（PBI），并评估了其对GABA-A受体和预测人类抗焦虑活性的动物模型中苯并二氮杂卓结合位点的亲和力。A环苯并稠合衍生物7以及6和7吡啶化合物3和4都显示出强大的活性。
• Pyridine carboxylic acid derivates
  申请人：Warner-Lambert Company

  公开号：US04916229A1

  公开（公告）日：1990-04-10

  The present invention covers a novel process for preparing substituted naphthyridines which are useful as intermediates in the production of certain antibacterial agents such as enoxacin. Also covered are novel intermediates in the process and methods for preparing them.

  本发明涵盖了一种新型制备取代萘啶的方法，其可用作生产某些抗菌剂（如恩诺沙星）的中间体。还涵盖了该过程中的新型中间体和制备它们的方法。
• Synthesis of 2,5-disubstituted 1,3,4-oxadiazoles containing benzothiazolylthiol grouping
  作者：V. I. Kelarev、M. A. Silin、N. A. Grigor'eva、V. N. Koshelev

  DOI：10.1007/bf02283554

  日期：2000.2
• Imidate Chemistry: A General and Versatile Synthesis of β-Enaminoesters, β-Ketoesters, and Methyl Ketones from Nitriles
  作者：Jean-Pierre Célérier、Elisabeth Deloisy、Pierre Kapron、Gérard Lhommet、Pierre Maitte

  DOI：10.1055/s-1981-29361

  日期：——
• A convenient one-pot entry into novel 2-substituted-6,7-dihydro-4H-Pyrimido(2,1-a) isoquinolin-4-ones
  作者：Bansi Lal、A.S. D'Sa、B.K. Kulkarni、N.J. de Souza

  DOI：10.1016/s0040-4020(01)86696-5

  日期：1990.1