(4-Methoxy-phenyl)-((2R,4S)-2-methyl-4-phenylamino-3,4-dihydro-2H-quinolin-1-yl)-methanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (4-Methoxy-phenyl)-((2R,4S)-2-methyl-4-phenylamino-3,4-dihydro-2H-quinolin-1-yl)-methanone
• 英文别名: [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
• 化学式: C₂₄H₂₄N₂O₂
• 分子量: 372.467
• InChiKey: CAISBOLWNVMBDP-VGSWGCGISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对甲氧基苯甲酰氯 、 cis-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine 在 PS-NMM resin 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 (4-Methoxy-phenyl)-((2R,4S)-2-methyl-4-phenylamino-3,4-dihydro-2H-quinolin-1-yl)-methanone
  参考文献：
  名称：

  Synthesis and SAR of cis-1-Benzoyl-1,2,3,4-tetrahydroquinoline ligands for control of gene expression in ecdysone responsive systems

  摘要：

  A library of 35 cis-1-benzoyl-2-methyl-4-(phenylamino)-1,2,3,4-tetrahydroquinolines was prepared. The compounds bore various substitutuents on the benzoyl ring, at the 4-position of the phenylamino ring and at the 6-position of the tetrahydroquinoline ring. The compounds were assayed for their ability to cause expression of a reporter gene downstream of an ecdysone response element in a mammalian cell line engineered to express the ecdysone receptor from Aedes aegypti. In general, compounds with small lipophilic substituents at the meta and para-positions of the benzoyl ring and hydrogen or fluorine at the 4-position of the phenylamino ring and the 6-position of the tetrahydroquino line ring were the most potent. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00317-2

文献信息

• Synthesis and SAR of cis-1-Benzoyl-1,2,3,4-tetrahydroquinoline ligands for control of gene expression in ecdysone responsive systems
  作者：Howard C Smith、Caitlin K Cavanaugh、Jennifer L Friz、Christine S Thompson、Jessica A Saggers、Enrique L Michelotti、Javier Garcia、Colin M Tice

  DOI：10.1016/s0960-894x(03)00317-2

  日期：2003.6

  A library of 35 cis-1-benzoyl-2-methyl-4-(phenylamino)-1,2,3,4-tetrahydroquinolines was prepared. The compounds bore various substitutuents on the benzoyl ring, at the 4-position of the phenylamino ring and at the 6-position of the tetrahydroquinoline ring. The compounds were assayed for their ability to cause expression of a reporter gene downstream of an ecdysone response element in a mammalian cell line engineered to express the ecdysone receptor from Aedes aegypti. In general, compounds with small lipophilic substituents at the meta and para-positions of the benzoyl ring and hydrogen or fluorine at the 4-position of the phenylamino ring and the 6-position of the tetrahydroquino line ring were the most potent. (C) 2003 Elsevier Science Ltd. All rights reserved.