8-methoxy-3,4-dihydro-1H-naphthalene-2,2-dicarboxylic acid tert-butyl ester methyl ester | 827023-41-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 8-methoxy-3,4-dihydro-1H-naphthalene-2,2-dicarboxylic acid tert-butyl ester methyl ester
• 英文别名: 2-O'-tert-butyl 2-O-methyl 8-methoxy-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate
• CAS: 827023-41-6
• 化学式: C₁₈H₂₄O₅
• 分子量: 320.386
• InChiKey: ZLWWKILYHDLYLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  8-methoxy-3,4-dihydro-1H-naphthalene-2,2-dicarboxylic acid tert-butyl ester methyl ester 在 lithium hydroxide 、 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 21.5h， 生成 2-isobutoxycarbonylamino-8-methoxy-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Discovery of Tetralin Carboxamide Growth Hormone Secretagogue Receptor Antagonists via Scaffold Manipulation

  摘要：

  A case study of rational design of an efficient, specific, and proprietary molecular scaffold based on the structure-activity relationship (SAR) information on a screening hit is described. Potent, selective, and orally bioavailable tetralin carboxamide growth hormone secretagogue receptor (GHS-R) antagonists were discovered. Union of rational design and high throughput synthesis provided a quick access to high quality chemical leads.

  DOI：

  10.1021/jm0491750
• 作为产物：
  描述：

  8-甲氧基-1,2,3,4-四氢萘-2-甲酸 在 potassium carbonate 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 8-methoxy-3,4-dihydro-1H-naphthalene-2,2-dicarboxylic acid tert-butyl ester methyl ester
  参考文献：
  名称：

  Discovery of Tetralin Carboxamide Growth Hormone Secretagogue Receptor Antagonists via Scaffold Manipulation

  摘要：

  A case study of rational design of an efficient, specific, and proprietary molecular scaffold based on the structure-activity relationship (SAR) information on a screening hit is described. Potent, selective, and orally bioavailable tetralin carboxamide growth hormone secretagogue receptor (GHS-R) antagonists were discovered. Union of rational design and high throughput synthesis provided a quick access to high quality chemical leads.

  DOI：

  10.1021/jm0491750

文献信息

• Tetraline derivatives as ghrelin receptor modulators
  申请人：Liu Bo

  公开号：US20050014794A1

  公开（公告）日：2005-01-20

  The present invention is related to compounds of formula (I), or a therapeutically suitable salt or prodrug thereof, the preparation of the compounds, compositions containing the compounds and the use of the compounds in the prevention or treatment of disorders regulated by ghrelin including anorexia, cancer cachexia, eating disorders, age-related decline in body composition, weight gain, obesity, and diabetes mellitus.

  本发明涉及式(I)的化合物，或其在治疗上适宜的盐或前药，该化合物的制备，含有该化合物的组合物以及该化合物在预防或治疗由胃泌素调节的疾病中的应用，包括厌食症、癌症恶病质、进食障碍、与年龄相关的身体组成下降、体重增加、肥胖和糖尿病。
• US7115767B2
  申请人：——

  公开号：US7115767B2

  公开（公告）日：2006-10-03
• Discovery of Tetralin Carboxamide Growth Hormone Secretagogue Receptor Antagonists via Scaffold Manipulation
  作者：Hongyu Zhao、Zhili Xin、Gang Liu、Verlyn G. Schaefer、H. Douglas Falls、Wiweka Kaszubska、Christine A. Collins、Hing L. Sham

  DOI：10.1021/jm0491750

  日期：2004.12.1

  A case study of rational design of an efficient, specific, and proprietary molecular scaffold based on the structure-activity relationship (SAR) information on a screening hit is described. Potent, selective, and orally bioavailable tetralin carboxamide growth hormone secretagogue receptor (GHS-R) antagonists were discovered. Union of rational design and high throughput synthesis provided a quick access to high quality chemical leads.