(5-Ethyl-2,4-dihydroxyphenyl)(phenyl)methanone | 50537-80-9

• 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: (5-Ethyl-2,4-dihydroxyphenyl)(phenyl)methanone
• 英文别名: 2,4-Dihydroxy-5-aethylbenzophenon；2,4-Dihydroxy-5-ethyl-benzophenon；5-ethyl-2,4-dihydroxy-benzophenone；5-Aethyl-2,4-dihydroxy-benzophenon；5-Ethyl-2,4-dihydroxybenzophenone；(5-ethyl-2,4-dihydroxyphenyl)-phenylmethanone
• CAS: 50537-80-9
• 化学式: C₁₅H₁₄O₃
• 分子量: 242.274
• InChiKey: YPGFSYVASPHWMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (5-Ethyl-2,4-dihydroxyphenyl)(phenyl)methanone 在 盐酸 、 amalgamated zinc 作用下， 生成 4-ethyl-6-benzyl-resorcinol
  参考文献：
  名称：

  Zur Kenntnis der Resorzinketone und C-Alkylresorzine

  摘要：

  DOI：

  10.1002/ardp.19332710606
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 三氯化铝 作用下， 生成 (5-Ethyl-2,4-dihydroxyphenyl)(phenyl)methanone
  参考文献：
  名称：

  Zur Kenntnis der Resorzinketone und C-Alkylresorzine

  摘要：

  DOI：

  10.1002/ardp.19332710606

文献信息

• Anti-inflammatory agents
  申请人：Eli Lilly and Company

  公开号：US04945099A1

  公开（公告）日：1990-07-31

  This invention provides benzene derivatives, pharmaceutical formulations of those derivatives, and a method of using the derivatives for the treatment of inflammation in mammals.

  这项发明提供苯衍生物，这些衍生物的制药配方以及使用这些衍生物治疗哺乳动物炎症的方法。
• Method of treating endotoxic shock in mammals
  申请人：Eli Lilly and Company

  公开号：US05294613A1

  公开（公告）日：1994-03-15

  This invention provides benzene derivatives, pharmaceutical formulations of those derivatives, and a method of using the derivatives for the treatment of inflammation in mammals.

  这项发明提供苯衍生物、这些衍生物的制药配方，以及使用这些衍生物治疗哺乳动物炎症的方法。
• Discovery and SAR study of hydroxyacetophenone derivatives as potent, non-steroidal farnesoid X receptor (FXR) antagonists
  作者：Peng Liu、Xing Xu、Lili Chen、Lei Ma、Xu Shen、Lihong Hu

  DOI：10.1016/j.bmc.2014.01.032

  日期：2014.3

  Compound 1 (IC50 = 35.2 +/- 7.2 mu M), a moderate FXR antagonist was discovered via high-throughput screening. Structure-activity relationship studies indicated that the shape and the lipophilicity of the substituents of the aromatic ring affect the activity dramatically, increasing the shape and the lipophilicity of the substituents of the aromatic ring enhances the potency of FXR antagonists. Especially, when the OH at C2 position of the aromatic ring was replaced by the OBn substituent (analog 2b), its activity could be improved to IC50 = 1.1 +/- 0.1 mu M. Besides, the length of the linker and the tetrazole structure are essential for retaining the activity. (C) 2014 Elsevier Ltd. All rights reserved.
• DERIVATIVES OF BENZOYLRESORCINOL
  作者：J. VanALLAN、J. F. TINKER

  DOI：10.1021/jo01373a005

  日期：1954.8
• Murai, Science Reports of the Saitama University, Series A: (Mathematics, Physics, Chemistry and Biochemistry), 1954, vol. 1, p. 139,143
  作者：Murai

  DOI：——

  日期：——