methyl 4-<(3-bromo-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)carbonyl>benzoate | 158499-19-5

• 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: methyl 4-<(3-bromo-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)carbonyl>benzoate
• 英文别名: methyl 4-<(3-bromo-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthyl)carbonyl>benzoate；Methyl 4-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
• CAS: 158499-19-5
• 化学式: C₂₃H₂₅BrO₃
• 分子量: 429.354
• InChiKey: FGNYFPNYVNYVIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 4-<(3-bromo-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)carbonyl>benzoate 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以57%的产率得到4-[(3-bromo-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthyl)carbonyl]benzoic acid
  参考文献：
  名称：

  Boehm; Zhang; Badea, Journal of Medicinal Chemistry, 1994, vol. 37, # 18, p. 2930 - 2941

  摘要：

  DOI：
• 作为产物：
  描述：

  2,5-二甲基-2,5-己二醇 在 盐酸 、 三氯化铝 作用下， 以 乙醇 、 正己烷 为溶剂， 反应 1.0h， 生成 methyl 4-<(3-bromo-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)carbonyl>benzoate
  参考文献：
  名称：

  Boehm; Zhang; Badea, Journal of Medicinal Chemistry, 1994, vol. 37, # 18, p. 2930 - 2941

  摘要：

  DOI：

文献信息

• Synthesis of Retinoid X Receptor-Specific Ligands That Are Potent Inducers of Adipogenesis in 3T3-L1 Cells
  作者：Stacie S. Canan Koch、Laura J. Dardashti、Rosemary M. Cesario、Glenn E. Croston、Marcus F. Boehm、Richard A. Heyman、Alex M. Nadzan

  DOI：10.1021/jm980621r

  日期：1999.2.1

  A novel series of oxime ligands has been synthesized that displays potent, specific activation of the retinoid X receptors (RXRs). The oximes of S-substituted (tetramethyltetrahydronaphthyl)carbonylbenzoic acids are readily available by condensation with hydroxyl- or methoxylamine; alkylation of the hydroxyl oxime provides a variety of analogues. Grimes and variously substituted oxime derivatives demonstrate high binding affinity for the RXRs and specific RXR activation and, hence, are called rexinoids. These oxime rexinoids are activators of the RXR: PPAR gamma heterodimer and are potent inducers of differentiation of 3T3-L1 preadipocytes to adipocytes. We have recently reported that ligands which activate the RXR:PPAR gamma heterodimer in this manner are effective in the treatment of type II diabetes (non-insulin-dependent diabetes mellitus, NIDDM). Thus, these new oxime rexinoids are potential therapeutic agents for the treatment of metabolic disorders, such as obesity and diabetes.
• Boehm; Zhang; Badea, Journal of Medicinal Chemistry, 1994, vol. 37, # 18, p. 2930 - 2941
  作者：Boehm、Zhang、Badea、White、Mais、Berger、Suto、Goldman、Heyman

  DOI：——

  日期：——