4-(3-硝基-苯氧基)-苯甲酸甲酯 | 174666-18-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(3-硝基-苯氧基)-苯甲酸甲酯
• 英文名称: 4-(3-nitro-phenoxy)-benzoic acid methyl ester
• 英文别名: 4-(3-Nitro-phenoxy)-benzoesaeure-methylester；Methyl 4-(nitrophen-3-yloxy)benzoate；Methyl 4-(3-nitrophenoxy)benzoate
• CAS: 174666-18-3
• 化学式: C₁₄H₁₁NO₅
• 分子量: 273.245
• InChiKey: ZQDHLXVEYHKHHJ-UHFFFAOYSA-N

物化性质

• 沸点：
  396.4±27.0 °C(Predicted)
• 密度：
  1.302±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(3-硝基-苯氧基)-苯甲酸甲酯 在 铁粉 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 4-(3-amino-phenoxy)-benzoic acid methyl ester
  参考文献：
  名称：

  DIARYLETHER INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE

  摘要：

  The design and synthesis of simple nonpeptide inhibitors of farnesyl-protein transferase (FTase) are described. Cysteine-derived diarylether frameworks are appropriate structural replacements for the C-terminal tetrapeptide portion of the Ras protein, and possess in vitro potency against FTase. Inhibitory activity is dependent on the ring-substitution pattern, and does not require the presence of a C-terminal carboxylate group. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00225-4
• 作为产物：
  描述：

  1-碘-3-硝基苯 、 对羟基苯甲酸甲酯 在 copper(I) bromide dimethylsulfide complex 、 sodium hydride 作用下， 以 吡啶 为溶剂， 生成 4-(3-硝基-苯氧基)-苯甲酸甲酯
  参考文献：
  名称：

  DIARYLETHER INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE

  摘要：

  The design and synthesis of simple nonpeptide inhibitors of farnesyl-protein transferase (FTase) are described. Cysteine-derived diarylether frameworks are appropriate structural replacements for the C-terminal tetrapeptide portion of the Ras protein, and possess in vitro potency against FTase. Inhibitory activity is dependent on the ring-substitution pattern, and does not require the presence of a C-terminal carboxylate group. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00225-4

文献信息

• Pyridyl and naphthyridyl compounds for inhibiting osteoclast-mediated
  申请人：Merck & Co., Inc.

  公开号：US05741796A1

  公开（公告）日：1998-04-21

  Compounds of the following general structure X-Y-Z-Aryl-A-B, for example, ##STR1## which inhibit osteoclast mediated bone resorption. Specifically, the compounds are useful for treating mammals suffering from a bone condition caused or mediated by increased bone resorption, who are in need of such therapy. The compounds may be administered in oral dosage forms such as tablets, capsules, e.g. sustained release capsules, powders, granules, and suspensions.

  以下一般结构的化合物 X-Y-Z-芳基-A-B，例如，##STR1## 能够抑制破骨细胞介导的骨吸收。具体来说，这些化合物可用于治疗因骨吸收增加引起或介导的骨病症而需要此类治疗的哺乳动物。这些化合物可以以口服剂型进行给药，如片剂、胶囊，例如缓释胶囊，粉末，颗粒和悬浮液。
• Tomita; Ikawa, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1954, vol. 74, p. 1065,1067
  作者：Tomita、Ikawa

  DOI：——

  日期：——
• Ikawa, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1955, vol. 75, p. 457,459
  作者：Ikawa

  DOI：——

  日期：——
• DIARYLETHER INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE
  作者：Christopher J Dinsmore*、Theresa M Williams、Kelly Hamilton、Timothy J O'Neill、Elaine Rands、Kenneth S Koblan、Nancy E Kohl、Jackson B Gibbs、Samuel L Graham、George D Hartman、Allen I Oliff

  DOI：10.1016/s0960-894x(97)00225-4

  日期：1997.5

  The design and synthesis of simple nonpeptide inhibitors of farnesyl-protein transferase (FTase) are described. Cysteine-derived diarylether frameworks are appropriate structural replacements for the C-terminal tetrapeptide portion of the Ras protein, and possess in vitro potency against FTase. Inhibitory activity is dependent on the ring-substitution pattern, and does not require the presence of a C-terminal carboxylate group. (C) 1997 Elsevier Science Ltd.