Ethyl 2-[[chloro(phenoxy)phosphoryl]amino]acetate | 1142818-43-6

• 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: Ethyl 2-[[chloro(phenoxy)phosphoryl]amino]acetate
• CAS: 1142818-43-6
• 化学式: C₁₀H₁₃ClNO₄P
• 分子量: 277.644
• InChiKey: DZUKFKXKVUIEHR-UHFFFAOYSA-N

物化性质

• 沸点：
  359.9±44.0 °C(predicted)
• 密度：
  1.317±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Ethyl 2-[[chloro(phenoxy)phosphoryl]amino]acetate 、 白杨素 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 ethyl (((5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)(phenoxy)phosphoryl)glycinate
  参考文献：
  名称：

  Synthesis of the Novel Phosphoramidate Derivatives of Chrysin

  摘要：

  A novel type of phosphoramidate derivatives of chrysin were synthesized by a facile phosphorylation reaction. The structures of all the newly synthesized chrysin derivatives were confirmed by ESI MS, HR MS, NMR, and IR.

  DOI：

  10.1080/10426500902772858
• 作为产物：
  描述：

  苯酚 在 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 Ethyl 2-[[chloro(phenoxy)phosphoryl]amino]acetate
  参考文献：
  名称：

  [EN] PIN1 INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE PIN1 ET UTILISATIONS ASSOCIÉES

  摘要：

  本文公开了调节活性的化合物及其用于治疗PIN1介导的疾病的方法，等等。

  公开号：

  WO2022032179A1

文献信息

• 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES
  申请人：Girijavallabhan Vinay

  公开号：US20140206640A1

  公开（公告）日：2014-07-24

  The present invention relates to 2′-Azido Substituted Nucleoside Derivatives of Formula (I): and pharmaceutically acceptable salts thereof, wherein B, X, R 1 , R 2 and R 3 are as defined herein. The present invention also relates to compositions comprising at least one 2′-Azido Substituted Nucleoside Derivative, and methods of using the 2′-Azido Substituted Nucleoside Derivatives for treating or preventing HCV infection in a patient.

  本发明涉及式(I)的2'-叠氮基取代核苷衍生物及其药学上可接受的盐，其中B、X、R1、R2和R3如本文所定义。本发明还涉及包含至少一种2'-叠氮基取代核苷衍生物的组合物，以及使用这些2'-叠氮基取代核苷衍生物治疗或预防患者HCV感染的方法。
• 抗乙肝病毒药物
  申请人：北京美倍他药物研究有限公司

  公开号：CN103804417B

  公开（公告）日：2017-09-19

  本发明涉及式I所代表的新的抗乙肝病毒药物及其非毒性药学上可接受的盐及其水合物：其中，R1为碳原子数1‑6的烷基或环烷基，R2为H或碳原子数1‑6的烷基。
• DIOXOLANE THYMINE PHOSPHORAMIDATES AS ANTI-HIV AGENTS
  申请人：SOFIA MICHAEL JOSEPH

  公开号：US20090099136A1

  公开（公告）日：2009-04-16

  Disclosed are dioxolane thymine phosphoramidate compounds, compositions, and methods for using dioxolane thymine phosphoramidate compounds and compositions to treat viral infections, such as HIV infections.

  本发明涉及二氧杂环己烷胸腺嘧啶磷酰胺化合物、组合物以及使用二氧杂环己烷胸腺嘧啶磷酰胺化合物和组合物治疗病毒感染，例如HIV感染的方法。
• Yuan, Jin-Wei; Chen, Xiao-Lan; Qu, Ling-Bo, Journal of the Chinese Chemical Society, 2009, vol. 56, # 1, p. 51 - 58
  作者：Yuan, Jin-Wei、Chen, Xiao-Lan、Qu, Ling-Bo、Qu, Zhi-Bo、Zhou, Ya-Dong、Zhao, Yu-Fen

  DOI：——

  日期：——
• A Phosphoramidate Strategy Enables Membrane Permeability of a Non-nucleotide Inhibitor of the Prolyl Isomerase Pin1
  作者：Daniel M. C. Schwarz、Sarah K. Williams、Maxwell Dillenburg、Carston R. Wagner、Jason E. Gestwicki

  DOI：10.1021/acsmedchemlett.0c00170

  日期：2020.9.10

  The membrane permeability of nucleotide-based drugs, such as sofosbuvir (Sovaldi), requires installation of phosphate-caging groups. One strategy, termed "ProTide", masks the anionic phosphate through an N-linked amino ester and an O-linked aromatic phospho-ester, such that release of the active drug requires consecutive enzymatic liberation by an esterase and then a phosphoramidase, such as Hint1. Because Hint1 is known to be selective for nucleotides, it was not clear if the ProTide approach could be deployed for non-nucleotides. Here, we demonstrate that caging of a phosphate-containing inhibitor of the prolyl isomerase Pin1 increases its permeability. Moreover, this compound was processed by both esterase and phosphoramidase activity, releasing the active molecule to bind and inhibit Pin1 in cells. Thus, Hint1 appears to recognize a broader set of substrates than previously appreciated. It seems possible that other potent, but impermeable, phosphate-containing inhibitors might likewise benefit from this approach.