2-Cetoxynitrobenzol | 50671-08-4

• 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: 2-Cetoxynitrobenzol
• 英文别名: hexadecyl-(2-nitro-phenyl)-ether；Hexadecyl-(2-nitro-phenyl)-aether；1-Hexadecoxy-2-nitrobenzene
• CAS: 50671-08-4
• 化学式: C₂₂H₃₇NO₃
• 分子量: 363.541
• InChiKey: KIZXJUJNEKIILY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  26
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Cetoxynitrobenzol 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 生成 2-Cetoxy-anilin
  参考文献：
  名称：

  Synthesis and biological evaluation of novel N-(alkoxyphenyl)-aminocarbonylbenzoic acid derivatives as PTP1B inhibitors

  摘要：

  Based on the fact that petroselinic acid showed good inhibitory activity (IC50 = 6.99 mu mol/L) against protein tyrosine phophatase 1B(PTP1B) in vitro, a series of novel N-(alkoxyphenyl)-aminocarbonylbenzoic acid derivatives were designed and synthesized. The results indicated that most of the derivatives showed more potent activities against PTP1B. Especially, compound 13 had obvious activity with an IC50 of 106 nmol/L in vitro. (C) 2010 Song Wu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.07.005
• 作为产物：
  描述：

  对甲苯磺酸十六烷基酯 、 sodium o-nitrophenate 在 xylene 作用下， 生成 2-Cetoxynitrobenzol
  参考文献：
  名称：

  Nodzu et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1951, vol. 71, p. 713

  摘要：

  DOI：

文献信息

• DE2263587
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis and biological evaluation of novel N-(alkoxyphenyl)-aminocarbonylbenzoic acid derivatives as PTP1B inhibitors
  作者：Yuan Feng Tong、Pei Zhang、Feng Chen、Ling Hua Hao、Fei Ye、Jin Ying Tian、Song Wu

  DOI：10.1016/j.cclet.2010.07.005

  日期：2010.12

  Based on the fact that petroselinic acid showed good inhibitory activity (IC50 = 6.99 mu mol/L) against protein tyrosine phophatase 1B(PTP1B) in vitro, a series of novel N-(alkoxyphenyl)-aminocarbonylbenzoic acid derivatives were designed and synthesized. The results indicated that most of the derivatives showed more potent activities against PTP1B. Especially, compound 13 had obvious activity with an IC50 of 106 nmol/L in vitro. (C) 2010 Song Wu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
• Nodzu et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1951, vol. 71, p. 713
  作者：Nodzu et al.

  DOI：——

  日期：——