1-benzoyl-2-methyl-2,3-dihydro-1H-quinolin-4-one | 681828-20-6

• 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: 1-benzoyl-2-methyl-2,3-dihydro-1H-quinolin-4-one
• 英文别名: 1-Benzoyl-2-methyl-2,3-dihydroquinolin-4(1H)-one；1-benzoyl-2-methyl-2,3-dihydroquinolin-4-one
• CAS: 681828-20-6
• 化学式: C₁₇H₁₅NO₂
• 分子量: 265.312
• InChiKey: QEFXWQPMGCAJAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-benzoyl-2-methyl-2,3-dihydro-1H-quinolin-4-one 在 四氯化钛 三乙酰氧基硼氢化钠 、 三乙胺 作用下， 以 1,1-二氯乙烷 、 溶剂黄146 、 甲苯 为溶剂， 反应 1.0h， 生成 (2-methyl-4-prop-2-ynylamino-3,4-dihydro-2H-quinolin-1-yl)-phenyl-methanone
  参考文献：
  名称：

  Quinoline derivatives as CRTH2 antagonists

  摘要：

  该发明涉及公式（I）中R1、R2、R3、R4、R5、R6、R7和R8的化合物，其用作药物、含有它们的药物组合物以及它们的制备方法。

  公开号：

  EP1435356A1
• 作为产物：
  描述：

  2,3-二氢-2-甲基-4(1h)-喹啉酮 、 苯甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以90%的产率得到1-benzoyl-2-methyl-2,3-dihydro-1H-quinolin-4-one
  参考文献：
  名称：

  Tetrahydroquinoline derivatives as CRTH2 antagonists

  摘要：

  A series of tetrahydroquinoline-derived inhibitors of the CRTH2 receptor was discovered by a high throughput screen. Optimization of these compounds for potency and pharmacokinetic properties led to the discovery of potent and orally bioavailable CRTH2 antagonists. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.094

文献信息

• Quinoline Derivatives as CRTH2 Antagonists
  申请人：Ali Awad M. Mohamed

  公开号：US20070197587A1

  公开（公告）日：2007-08-23

  The invention relates to compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are as defined in the description, their use as medicament, pharmaceutical compositions containing them and processes for their preparation.

  该发明涉及式(I)的化合物，其中R1、R2、R3、R4、R5、R6、R7和R8如描述中所定义，它们作为药物的用途、含有它们的制药组合物以及它们的制备方法。
• TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS
  申请人：Warner-Lambert Company LLC

  公开号：EP1556356A1

  公开（公告）日：2005-07-27
• US7220760B2
  申请人：——

  公开号：US7220760B2

  公开（公告）日：2007-05-22
• [EN] TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS<br/>[FR] DERIVES DE TETRAHYDROQUINOLINE ANTAGONISTES DE CRTH2
  申请人：WARNER LAMBERT CO

  公开号：WO2004035543A1

  公开（公告）日：2004-04-29

  The invention relates to compounds of formula (I) wherein Rl, R2, R3, R4, R5, R6, R7 and R8 are as defined in the description, their use as medicament, pharmaceutical compositions containing them and processes for their preparation.
• Tetrahydroquinoline derivatives as CRTH2 antagonists
  作者：Jiwen Liu、Yingcai Wang、Ying Sun、Derek Marshall、Shichang Miao、George Tonn、Penny Anders、Joel Tocker、H. Lucy Tang、Julio Medina

  DOI：10.1016/j.bmcl.2009.10.094

  日期：2009.12

  A series of tetrahydroquinoline-derived inhibitors of the CRTH2 receptor was discovered by a high throughput screen. Optimization of these compounds for potency and pharmacokinetic properties led to the discovery of potent and orally bioavailable CRTH2 antagonists. (C) 2009 Elsevier Ltd. All rights reserved.