tert-butyl (2-(2,4-dichlorophenoxy)ethyl)carbamate | 870194-65-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl (2-(2,4-dichlorophenoxy)ethyl)carbamate
• 英文别名: N-Boc-(2-(2,4-dichlorophenoxy)ethaneamine)；tert-butyl N-[2-(2,4-dichlorophenoxy)ethyl]carbamate
• CAS: 870194-65-3
• 化学式: C₁₃H₁₇Cl₂NO₃
• 分子量: 306.189
• InChiKey: ZYBXMZYPLWXKKX-UHFFFAOYSA-N

物化性质

• 沸点：
  414.9±35.0 °C(Predicted)
• 密度：
  1.231±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl (2-(2,4-dichlorophenoxy)ethyl)carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以100%的产率得到2-(2,4-二氯-苯氧基)-乙胺
  参考文献：
  名称：

  [EN] COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS
  [FR] COMPOSES ET COMPOSITIONS EN TANT QUE MODULATEURS DE PPAR

  摘要：

  该发明提供了化合物，包括这些化合物的药物组合物以及使用这些化合物治疗或预防与过氧化物酶体增殖激活受体（PPAR）家族的活性相关的疾病或障碍的方法，特别是PPAR的活性。

  公开号：

  WO2005113519A1
• 作为产物：
  描述：

  N-(叔丁氧羰基)乙醇胺 在 caesium carbonate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.25h， 生成 tert-butyl (2-(2,4-dichlorophenoxy)ethyl)carbamate
  参考文献：
  名称：

  [EN] PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION
  [FR] DÉRIVÉS D'ACIDE PYRIDIN-3-YL-ACÉTIQUE EN TANT QU'INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE

  摘要：

  公开号：

  WO2019244066A3

文献信息

• Compounds And Compositions As Ppar Modulators
  申请人：Epple Robert

  公开号：US20080114044A1

  公开（公告）日：2008-05-15

  The invention provides compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with the activity of the Peroxisome Proliferator-Activated Receptor (PPAR) families, particularly the activity of PPAR.

  该发明提供了化合物、包含这些化合物的药物组合物以及使用这些化合物治疗或预防与过氧化物酶体增殖物激活受体（PPAR）家族活性相关的疾病或疾病的方法，特别是PPAR活性。
• 3,4,5-Trisubstituted isoxazoles as novel PPARδ agonists: Part 1
  作者：Robert Epple、Ross Russo、Mihai Azimioara、Christopher Cow、Yongping Xie、Xing Wang、John Wityak、Don Karanewsky、Andrea Gerken、Maya Iskandar、Enrique Saez、H. Martin Seidel、Shin-Shay Tian

  DOI：10.1016/j.bmcl.2006.05.055

  日期：2006.8

  We report the identification of a novel series of trisubstituted isoxazoles as PPAR activators from a high-throughput screen. A series of structural optimizations led to improved efficacy and excellent functional receptor selectivity for PPAR delta. The isoxazoles represent a series of agonists which display a scaffold that lies outside the typical PPAR agonist motif. (c) 2006 Elsevier Ltd. All rights reserved.
• Discovery and SAR of Novel and Selective Inhibitors of Urokinase Plasminogen Activator (uPA) with an Imidazo[1,2-<i>a</i>]pyridine Scaffold
  作者：Rafaela Gladysz、Yves Adriaenssens、Hans De Winter、Jurgen Joossens、Anne-Marie Lambeir、Koen Augustyns、Pieter Van der Veken

  DOI：10.1021/acs.jmedchem.5b01171

  日期：2015.12.10

  Urokinase plasminogen activator (uPA) is a biomarker and therapeutic target for several cancer types. Its inhibition is regarded as a promising, noncytotoxic approach in cancer therapy by blocking growth and/or metastasis of solid tumors. Earlier, we reported the modified substrate activity screening (MSAS) approach and applied it for the identification of fragments with affinity for uPA's Si pocket. Here, these fragments are transformed into a novel class of uPA inhibitors with an imidazo[1,2-a]pyridine scaffold. The SAR for uPA inhibition around this scaffold is explored, and the best compounds in the series have nanomolar uPA affinity and selectivity with respect to the related trypsin-like serine proteases (thrombin, tPA, FXa, plasmin, plasma kallikrein, trypsin, FVIIa). Finally, the approach followed for translating fragments into small molecules with a decorated scaffold architecture is conceptually straightforward and can be expected to be broadly applicable in fragment-based drug design.
• COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS
  申请人：IRM, LLC

  公开号：EP1745027A1

  公开（公告）日：2007-01-24
• EP1745027A4
  申请人：——

  公开号：EP1745027A4

  公开（公告）日：2009-06-03