(+/-)-trans-4-Anilino-1-benzoyl-2-methyl-1,2,3,4-tetrahydrochinolin | 857-45-4

• 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: (+/-)-trans-4-Anilino-1-benzoyl-2-methyl-1,2,3,4-tetrahydrochinolin
• 英文别名: (+/-)-4t-anilino-1-benzoyl-2r-methyl-1,2,3,4-tetrahydro-quinoline；(+/-)-4t-Anilino-1-benzoyl-2r-methyl-1,2,3,4-tetrahydro-chinolin；[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
• CAS: 857-45-4；26343-39-5；26343-41-9
• 化学式: C₂₃H₂₂N₂O
• 分子量: 342.44
• InChiKey: RNXXIKOZHJKKPF-DYESRHJHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933499090

反应信息

• 作为反应物：
  描述：

  乙酰氯 、 (+/-)-trans-4-Anilino-1-benzoyl-2-methyl-1,2,3,4-tetrahydrochinolin 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以85%的产率得到N-[(2S,4S)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
  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
• 作为产物：
  描述：

  苯甲酰氯 、 trans-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以90%的产率得到(+/-)-trans-4-Anilino-1-benzoyl-2-methyl-1,2,3,4-tetrahydrochinolin
  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

• 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.