1-(2-(5-(3,4-Dichlorobenzyl)-1-hexyl-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine | 1162747-92-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(2-(5-(3,4-Dichlorobenzyl)-1-hexyl-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
• 英文别名: 2-[2-[[5-[(3,4-dichlorophenyl)methyl]-1-hexyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
• CAS: 1162747-92-3
• 化学式: C₁₉H₂₇Cl₂N₇O₂
• 分子量: 456.375
• InChiKey: BDNLOAMMLSTYIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  129
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-((2-aminoethyl)amino)-3-(3,4-dichlorobenzyl)-1-hexyl-1,3,5-triazine-2,4(1H,3H)-dione 、 1H-吡唑-1-甲脒盐酸盐 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 生成 1-(2-(5-(3,4-Dichlorobenzyl)-1-hexyl-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
  参考文献：
  名称：

  Triazinediones as prokineticin 1 receptor antagonists. Part 1: SAR, synthesis and biological evaluation

  摘要：

  A series of guanidine triazinediones were identified as potent PK1 receptor antagonists. A compound in this series inhibited the PK1 invoked prosecretory response in rat ileum tissue. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.157

文献信息

• Triazinediones as prokineticin 1 receptor antagonists. Part 1: SAR, synthesis and biological evaluation
  作者：Janet L. Ralbovsky、Joseph G. Lisko、Jeffrey M. Palmer、John Mabus、Kristen M. Chevalier、Mark J. Schulz、Alexey B. Dyatkin、Tamara A. Miskowski、Steven J. Coats、Pamela Hornby、Wei He

  DOI：10.1016/j.bmcl.2009.03.157

  日期：2009.5

  A series of guanidine triazinediones were identified as potent PK1 receptor antagonists. A compound in this series inhibited the PK1 invoked prosecretory response in rat ileum tissue. (C) 2009 Elsevier Ltd. All rights reserved.