tert-butyl (2-(2-nitrophenoxy)ethyl)carbamate | 263410-15-7

• 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-nitrophenoxy)ethyl)carbamate
• 英文别名: tert-butyl N-[2-(2-nitrophenoxy)ethyl]carbamate
• CAS: 263410-15-7
• 化学式: C₁₃H₁₈N₂O₅
• 分子量: 282.296
• InChiKey: FFFQPFWHPTVBGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 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：
  93.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl (2-(2-nitrophenoxy)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-硝基苯氧基)乙胺
  参考文献：
  名称：

  3,4,5-Trisubstituted isoxazoles as novel PPARδ agonists: Part 1

  摘要：

  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.

  DOI：

  10.1016/j.bmcl.2006.05.055
• 作为产物：
  描述：

  N-Boc-溴乙胺 、 硝苯酚 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 6.0h， 生成 tert-butyl (2-(2-nitrophenoxy)ethyl)carbamate
  参考文献：
  名称：

  3,4,5-Trisubstituted isoxazoles as novel PPARδ agonists: Part 1

  摘要：

  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.

  DOI：

  10.1016/j.bmcl.2006.05.055

文献信息

• Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery
  作者：Jan Tykvart、Jiří Schimer、Jitka Bařinková、Petr Pachl、Lenka Poštová-Slavětínská、Pavel Majer、Jan Konvalinka、Pavel Šácha

  DOI：10.1016/j.bmc.2014.05.061

  日期：2014.8

  Glutamate carboxypeptidase II (GCPII), also known as prostate specific membrane antigen (PSMA), is an established prostate cancer marker and is considered a promising target for specific anticancer drug delivery. Low-molecular-weight inhibitors of GCPII are advantageous specific ligands for this purpose. However, they must be modified with a linker to enable connection of the ligand with an imaging molecule, anticancer drug, and/or nanocarrier. Here, we describe a structure-activity relationship (SAR) study of GCPII inhibitors with linkers suitable for imaging and drug delivery. Structure-assisted inhibitor design and targeting of a specific GCPII exosite resulted in a 7-fold improvement in Ki value compared to the parent structure. X-ray structural analysis of the inhibitor series led to the identification of several inhibitor binding modes. We also optimized the length of the inhibitor linker for effective attachment to a biotin-binding molecule and showed that the optimized inhibitor could be used to target nanoparticles to cells expressing GCPII.
• NEW BIS-BENZIMIDAZOLES
  申请人：Bayer Aktiengesellschaft

  公开号：EP1117651A1

  公开（公告）日：2001-07-25
• [EN] NEW BIS-BENZIMIDAZOLES<br/>[FR] NOUVEAUX BIS-BENZIMIDAZOLES
  申请人：BAYER YAKUHIN LTD

  公开号：WO2000020401A1

  公开（公告）日：2000-04-13

  Bis-benzimidazole compounds of general formula (I) in which R?1, R2, R3 and R4¿ are hydrogen, hydroxy or halogen, R?5 and R8¿ are hydrogen, or (C¿1?-C4)-alkyl,R?6 and R7¿ are hydrogen, or (C¿1?-C6)-alkyl, hydroxy, halogen, or (C1-C6)-alkoxy, R?9, R10 and R11¿ are hydrogen, halogen, nitro, cyano or trifluoromethyl, and A is a non-aromatic 5-7-membered N-heterocycle, etc, process for their preparation and their use for treating diseases associated with tryptase activity including allergic, inflammatory and related immunological diseases, in particular asthma, allergic rhinitis, allergic conjunctivitis and allergic dermatitis.
• 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.