diethyl (2-oxo-2-(pyridin-2-ylamino)ethyl)phosphonate | 1251860-62-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: diethyl (2-oxo-2-(pyridin-2-ylamino)ethyl)phosphonate
• 英文别名: 2-diethoxyphosphoryl-N-pyridin-2-ylacetamide
• CAS: 1251860-62-4
• 化学式: C₁₁H₁₇N₂O₄P
• 分子量: 272.241
• InChiKey: DQAWKJBIMXHEOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  77.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diethyl (2-oxo-2-(pyridin-2-ylamino)ethyl)phosphonate 在 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 disodium 2-[(pyridin-2-yl)carbamoyl]methylphosphonate
  参考文献：
  名称：

  Synthesis and evaluation of phosphonated N-heteroarylcarboxamides as DOXP-reductoisomerase (DXR) inhibitors

  摘要：

  The diethyl esters and disodium salts of a range of heteroarylcarbamoylphosphonic acids have been prepared and evaluated as analogues of the highly active DOXP-reductoisomerase (DXR) inhibitor, fosmidomycin. Computer-simulated docking studies, Saturation Transfer Difference (STD) NMR analysis and enzyme inhibition assays have been used to explore enzyme-binding and -inhibition potential, while in silico analysis of the DXR active site has highlighted the importance of including a well-parameterised metal co-factor in docking studies and has revealed the availability of an additional binding pocket to guide future drug design. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.11.062
• 作为产物：
  描述：

  2-氨基吡啶 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 9.0h， 生成 diethyl (2-oxo-2-(pyridin-2-ylamino)ethyl)phosphonate
  参考文献：
  名称：

  Macrocyclic compounds and methods for their production

  摘要：

  提供了公式（I）化合物，可用于治疗病毒感染或作为免疫抑制剂。

  公开号：

  US09139613B2

文献信息

• [EN] NOVEL DOSAGE FORM<br/>[FR] NOUVELLE FORME PHARMACEUTIQUE
  申请人：BIOTICA TECH LTD

  公开号：WO2013061052A1

  公开（公告）日：2013-05-02

  There is provided inter alia apharmaceutical dosage form fororal administration comprising a sanglifehrin as active ingredient in which the sanglifehrin active ingredient is protected from acid degradation in the stomach environment following oral administration.

  提供了一种口服药物剂型，包括桑格利非林作为活性成分，其中桑格利非林活性成分在口服后胃环境中受到酸性降解的保护。
• Sanglifehrin based compounds
  申请人：Moss Steven James

  公开号：US09119853B2

  公开（公告）日：2015-09-01

  There are provided inter alia compounds of formula (I) useful as cyclophilin inhibitors.

  提供了一些化合物，其化学式为（I），可作为环蛋白酶抑制剂。
• Macrocyclic compounds and methods for their production
  申请人：Moss Steven James

  公开号：US09139613B2

  公开（公告）日：2015-09-22

  There is provided inter alia compounds of formula (I): for use in treatment of viral infection or as an immunosuppressant.

  提供了公式（I）化合物，可用于治疗病毒感染或作为免疫抑制剂。
• Novel Dosage Form
  申请人：NeuroVive Pharmaceutical AB

  公开号：US20140234414A1

  公开（公告）日：2014-08-21

  There is provided inter alia a pharmaceutical dosage form for oral administration comprising a sanglifehrin as active ingredient in which the sanglifehrin active ingredient is protected from acid degradation in the stomach environment following oral administration.

  提供了一种用于口服的药物剂型，包括桑格利非林作为活性成分，其中桑格利非林活性成分在口服后受到胃酸降解的保护。
• Synthesis and anti-parasitic activity of C -benzylated ( N -arylcarbamoyl)alkylphosphonate esters
  作者：Christiana M. Adeyemi、Michelle Isaacs、Dumisani Mnkandhla、Rosalyn Klein、Heinrich C. Hoppe、Rui W.M. Krause、Kevin A. Lobb、Perry T. Kaye

  DOI：10.1016/j.tet.2017.01.045

  日期：2017.3

  C-benzylated (N-arylcarbamoyl)phosphonate esters have been resolved. The C-benzylated N-furfurylcarbamoyl derivative showed low micromolar PfLDH inhibition, while one of the C-benzylated N-arylcarbamoyl analogues was active against Nagana Trypanosoma brucei parasites which are responsible for African trypanosomiasis in cattle.

  解决了C-苄基化（N-芳基氨基甲酰基）膦酸酯合成中意外的依赖于取代基的区域选择性挑战。所述Ç -benzylated Ñ -furfurylcarbamoyl衍生物显示出低微摩尔Pf的LDH抑制，而之一Ç -benzylated Ñ -arylcarbamoyl类似物反对那加那活性布氏锥虫寄生虫其负责在牛非洲锥虫病。