4-[(2-叔丁基苯氧基)甲基]苯甲酸 | 833484-91-6

• 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-[(2-叔丁基苯氧基)甲基]苯甲酸
• 英文名称: 4-([2-tert-butylphenoxy]methyl)benzoic acid
• 英文别名: Benzoic acid, 4-[[2-(1,1-dimethylethyl)phenoxy]methyl]-；4-[(2-tert-butylphenoxy)methyl]benzoic acid
• CAS: 833484-91-6
• 化学式: C₁₈H₂₀O₃
• 分子量: 284.355
• InChiKey: KNILKKHFMQNGFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对甲基苯甲酸乙酯 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 水 、 potassium carbonate 、 lithium hydroxide 作用下， 以 四氢呋喃 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 4-[(2-叔丁基苯氧基)甲基]苯甲酸
  参考文献：
  名称：

  新型视黄醇 X 受体激动剂化学型的计算机辅助发现和结构优化。

  摘要：

  作为许多核受体的通用异二聚体伴侣，类视黄醇 X 受体 (RXR) 构成了关键的转录因子。它们调节细胞增殖、分化、炎症和代谢稳态，最近被提议作为神经退行性和炎症性疾病的潜在药物靶点。由于 RXR 配体结合位点的疏水性，可用的合成 RXR 配体是亲脂性的，并且其结构多样性有限。在这里，我们公开了一种新型 RXR 激动剂化学型的计算机辅助发现及其对有效 RXR 调节剂的系统优化。我们开发了一种纳摩尔 RXR 激动剂，与经典的类固醇相比，它对核受体具有高选择性，具有优异的理化性质，似乎适合体内应用，并作为未来 RXR 靶向药物化学的先导。

  DOI：

  10.1021/acsmedchemlett.8b00551

文献信息

• Novel oxaluric acid derivatives and pharmaceutical compositions containing them
  申请人：NIPPON ZOKI PHARMACEUTICAL CO. LTD.

  公开号：EP0191735A2

  公开（公告）日：1986-08-20

  57 Oxaluric acid derivatives of the formula (I): wherein each of R, and R2, which may be the same or different, represents a hydrogen atom, an alkyl or cycloalkyl group, or R, and R2 taken together with the adjacent nitrogen atom form a heterocyclic ring and R3 represents a hydrogen atom or an alkyl group as well as pharmaceutically acceptable salts and metal complexes thereof are disclosed. Pharmaceutical compositions containing the compounds as active ingredients are disclosed. The compounds possess hypoglycemic activity and are useful in the treatment of diabetes.

  57 式(I)的草酸衍生物： 其中 R 和 R2（可以相同或不同）各自代表氢原子、烷基或环烷基，或 R 和 R2 与邻近的氮原子一起形成杂环，R3 代表氢原子或烷基，本发明公开了其药学上可接受的盐和金属络合物。还公开了含有这些化合物作为活性成分的药物组合物。这些化合物具有降血糖活性，可用于治疗糖尿病。
• DRUG FOR KIDNEY FAILURE CONTAINING OXALURIC ACID DERIVATIVE
  申请人：Nippon Zoki Pharmaceutical Co. Ltd.

  公开号：EP1537866A1

  公开（公告）日：2005-06-08

  The effective ingredient of the agent for renal failure of the present invention is an oxaluric acid derivative having an excellent suppressive effect of the progression of renal failure. The oxaluric acid derivatives of the present invention have an excellent suppressive effect of the progression of renal failure to inhibit significantly the increase of creatinine level in blood accompanied by the progression of renal failure. The compounds of the present invention have highly safety with little side effects, so that they are very useful as an agent for renal failure which is required to be administered for long term.

  本发明治疗肾衰竭药剂的有效成分是一种草酸衍生物，它对肾衰竭的恶化有极好的抑制作用。本发明的草酸衍生物对肾功能衰竭的恶化有很好的抑制作用，能显著抑制伴随肾功能衰竭恶化的血肌酐水平的升高。本发明的化合物安全性高，副作用小，因此非常适用于需要长期服用的肾衰竭药物。
• Drug for kidney failure containing oxaluric acid derivative
  申请人：Naiki Mitsuru

  公开号：US20050245577A1

  公开（公告）日：2005-11-03

  The effective ingredient of the agent for renal failure of the present invention is an oxaluric acid derivative having an excellent suppressive effect of the progression of renal failure. The oxaluric acid derivatives of the present invention have an excellent suppressive effect of the progression of renal failure to inhibit significantly the increase of creatinine level in blood accompanied by the progression of renal failure. The compounds of the present invention have highly safety with little side effects, so that they are very useful as an agent for renal failure which is required to be administered for long term.

  本发明治疗肾衰竭药剂的有效成分是一种草酸衍生物，它对肾衰竭的恶化有极好的抑制作用。本发明的草酸衍生物对肾功能衰竭的恶化有很好的抑制作用，能显著抑制伴随肾功能衰竭恶化的血肌酐水平的升高。本发明的化合物安全性高，副作用小，因此非常适用于需要长期服用的肾衰竭药物。
• US4708954A
  申请人：——

  公开号：US4708954A

  公开（公告）日：1987-11-24
• [EN] BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS<br/>[FR] DERIVES D'ACIDE BENZOIQUE ET PHENYLACETIQUE UTILISES EN TANT QUE MODULATEURS DES RECEPTEURS DU FACTEUR HNF-4 DOLLAR G(A)
  申请人：LIGAND PHARMACUETICALS INC

  公开号：WO2005009104A2

  公开（公告）日：2005-02-03

  The present invention is directed to hepatocyte nuclear factor 4a (HNF-4a) receptor modulator compounds. This invention is also directed to pharmaceutical compositions containing such compounds as well as methods of using such compounds and pharmaceutical compositions for modulating HNF-4a receptors as well as processes mediated by HNF-4a receptors. Also provided are methods of making such compounds and pharmaceutical compositions, as well as intermediates used in their synthesis.