3-甲氧基-2-甲基-N-[1-(4-甲基苯甲酰基)环戊基]苯甲酰胺 | 551963-75-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-甲氧基-2-甲基-N-[1-(4-甲基苯甲酰基)环戊基]苯甲酰胺
• 英文名称: 3-Methoxy-2-methyl-N-[1-(4-methyl-benzoyl)-cyclopentyl]-benzamide
• 英文别名: 3-Methoxy-2-methyl-N-[1-(4-methylbenzoyl)cyclopentyl]benzamide
• CAS: 551963-75-8
• 化学式: C₂₂H₂₅NO₃
• 分子量: 351.445
• InChiKey: YPXDMPWXQHJUDF-UHFFFAOYSA-N

物化性质

• 沸点：
  505.2±50.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  环亮氨酸 在 吡啶 、 sodium tetrahydroborate 、 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 3-甲氧基-2-甲基-N-[1-(4-甲基苯甲酰基)环戊基]苯甲酰胺
  参考文献：
  名称：

  Synthesis and SAR of α-Acylaminoketone ligands for control of gene expression

  摘要：

  A lead discovery library and a follow-up focused library of alpha-acylaminoketones were designed based on known dibenzoylhydrazine ecdysone agonists, including GS(TM)-E. The compounds were assayed in mammalian cells expressing the ecdysone receptor from Bombyx mori for their ability to cause expression of a reporter gene downstream of an ecdysone response element. The most potent alpha-acylaminoketones were comparable to GS(TM)-E in this assay. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00980-0

文献信息

• KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX
  申请人：Intrexon Corporation

  公开号：EP1534658B1

  公开（公告）日：2016-09-07
• Alpha-acylaminoketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex
  申请人：Intrexon Corporation

  公开号：EP2392561B1

  公开（公告）日：2016-09-14
• Synthesis and SAR of α-Acylaminoketone ligands for control of gene expression
  作者：Colin M Tice、Robert E Hormann、Christine S Thompson、Jennifer L Friz、Caitlin K Cavanaugh、Enrique L Michelotti、Javier Garcia、Ernesto Nicolas、Fernando Albericio

  DOI：10.1016/s0960-894x(02)00980-0

  日期：2003.2

  A lead discovery library and a follow-up focused library of alpha-acylaminoketones were designed based on known dibenzoylhydrazine ecdysone agonists, including GS(TM)-E. The compounds were assayed in mammalian cells expressing the ecdysone receptor from Bombyx mori for their ability to cause expression of a reporter gene downstream of an ecdysone response element. The most potent alpha-acylaminoketones were comparable to GS(TM)-E in this assay. (C) 2002 Elsevier Science Ltd. All rights reserved.