6-Bromo-2-naphthalen-2-yl-benzo[d][1,3]oxazin-4-one | 259730-83-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 6-Bromo-2-naphthalen-2-yl-benzo[d][1,3]oxazin-4-one
• 英文别名: 6-Bromo-2-naphthalen-2-yl-3,1-benzoxazin-4-one
• CAS: 259730-83-1
• 化学式: C₁₈H₁₀BrNO₂
• 分子量: 352.187
• InChiKey: BTFOCUKMGFWMOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-Bromo-2-naphthalen-2-yl-benzo[d][1,3]oxazin-4-one 在 N-甲基吗啉 、 sodium hydroxide 、 四(三苯基膦)钯 、 sodium carbonate 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 {5-[2-(2-Naphthalen-2-yl-4-oxo-6-phenyl-4H-quinazolin-3-yl)-acetylamino]-pentyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Modeling directed design and biological evaluation of quinazolinones as non-peptidic growth hormone secretagogues

  摘要：

  Quinazolinone derivatives were synthesized and evaluated as non-peptidic growth hormone secretagogues. Modeling guided design of quinazolinone compound 21 led to a potency enhancement of greater than 200-fold compared to human growth hormone secretagogue affinity of a screening lead 4. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00584-3
• 作为产物：
  描述：

  2-氨基-5-溴苯甲酸 、 2-萘甲酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 6-Bromo-2-naphthalen-2-yl-benzo[d][1,3]oxazin-4-one
  参考文献：
  名称：

  Modeling directed design and biological evaluation of quinazolinones as non-peptidic growth hormone secretagogues

  摘要：

  Quinazolinone derivatives were synthesized and evaluated as non-peptidic growth hormone secretagogues. Modeling guided design of quinazolinone compound 21 led to a potency enhancement of greater than 200-fold compared to human growth hormone secretagogue affinity of a screening lead 4. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00584-3

文献信息

• Modeling directed design and biological evaluation of quinazolinones as non-peptidic growth hormone secretagogues
  作者：Zhixiong Ye、Yingduo Gao、Raman K. Bakshi、Meng-Hsin Chen、Susan P. Rohrer、Scott D. Feighner、Sheng-Shung Pong、Andrew D. Howard、Allan Blake、Elizabeth T. Birzin、Louis Locco、Rupa M. Parmar、Wanda W.-S. Chan、James M. Schaeffer、Roy G. Smith、Arthur A. Patchett、Ravi P. Nargund

  DOI：10.1016/s0960-894x(99)00584-3

  日期：2000.1

  Quinazolinone derivatives were synthesized and evaluated as non-peptidic growth hormone secretagogues. Modeling guided design of quinazolinone compound 21 led to a potency enhancement of greater than 200-fold compared to human growth hormone secretagogue affinity of a screening lead 4. (C) 1999 Elsevier Science Ltd. All rights reserved.