1-Benzoyl-3-(5,6,7,8-tetrahydro-naphthalen-1-yl)-thiourea | 860609-76-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 1-Benzoyl-3-(5,6,7,8-tetrahydro-naphthalen-1-yl)-thiourea
• 英文别名: N-benzoyl-N'-(5,6,7,8-tetrahydro-1-naphthalenyl)thiourea；N-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamothioyl)benzamide
• CAS: 860609-76-3
• 化学式: C₁₈H₁₈N₂OS
• 分子量: 310.42
• InChiKey: KURBQXHDDOCXMV-UHFFFAOYSA-N

物化性质

• 密度：
  1.264±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  73.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Benzoyl-3-(5,6,7,8-tetrahydro-naphthalen-1-yl)-thiourea 在 sodium hydroxide 作用下， 反应 0.17h， 以90%的产率得到(5,6,7,8-tetrahydro-[1]naphthyl)-thiourea
  参考文献：
  名称：

  Optimization of 2-aminothiazole derivatives as CCR4 antagonists

  摘要：

  A series of 2-aminothiazole-derived antagonists of the CCR4 receptor has been synthesized and their affinity for the receptor evaluated using a [I-125]TARC (CCL17) displacement assay. Optimization of these compounds for potency and pharmacokinetic properties led to the discovery of potent, orally bioavailable antagonists. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.126
• 作为产物：
  描述：

  1-氨基四氢化萘 、 苯甲酰基异硫氰酸酯 以 丙酮 为溶剂， 反应 1.0h， 以98%的产率得到1-Benzoyl-3-(5,6,7,8-tetrahydro-naphthalen-1-yl)-thiourea
  参考文献：
  名称：

  Optimization of 2-aminothiazole derivatives as CCR4 antagonists

  摘要：

  A series of 2-aminothiazole-derived antagonists of the CCR4 receptor has been synthesized and their affinity for the receptor evaluated using a [I-125]TARC (CCL17) displacement assay. Optimization of these compounds for potency and pharmacokinetic properties led to the discovery of potent, orally bioavailable antagonists. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.126

文献信息

• Optimization of 2-aminothiazole derivatives as CCR4 antagonists
  作者：Xuemei Wang、Feng Xu、Qingge Xu、Hossen Mahmud、Jonathan Houze、Liusheng Zhu、Michelle Akerman、George Tonn、Liang Tang、Brian E. McMaster、Daniel J. Dairaghi、Thomas J. Schall、Tassie L. Collins、Julio C. Medina

  DOI：10.1016/j.bmcl.2006.01.126

  日期：2006.5

  A series of 2-aminothiazole-derived antagonists of the CCR4 receptor has been synthesized and their affinity for the receptor evaluated using a [I-125]TARC (CCL17) displacement assay. Optimization of these compounds for potency and pharmacokinetic properties led to the discovery of potent, orally bioavailable antagonists. (C) 2006 Elsevier Ltd. All rights reserved.