1-Benzamido-3-[2-(2-tert-butylphenoxy)pyridin-3-yl]thiourea | 1440752-52-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-Benzamido-3-[2-(2-tert-butylphenoxy)pyridin-3-yl]thiourea
• 英文别名: 1-benzamido-3-[2-(2-tert-butylphenoxy)pyridin-3-yl]thiourea
• CAS: 1440752-52-2
• 化学式: C₂₃H₂₄N₄O₂S
• 分子量: 420.535
• InChiKey: JWSIXLCWZXXPNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-Benzamido-3-[2-(2-tert-butylphenoxy)pyridin-3-yl]thiourea 在 硫酸 作用下， 反应 1.0h， 生成 2-(2-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridin-3-amine
  参考文献：
  名称：

  New azole antagonists with high affinity for the P2Y1 receptor

  摘要：

  Five-membered-ring heterocyclic urea mimics have been found to be potent and selective antagonists of the P2Y(1) receptor. SAR of the various heterocyclic replacements is presented, as well as side-chain SAR of the more potent thiadiazole ring system which leads to thiadiazole 4c as a new antiplatelet agent. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.04.041
• 作为产物：
  描述：

  2-(2-tert-butyl-phenoxy)-3-isothiocyanato-pyridine 、 苯甲酰肼 以 二氯甲烷 为溶剂， 反应 72.0h， 生成 1-Benzamido-3-[2-(2-tert-butylphenoxy)pyridin-3-yl]thiourea
  参考文献：
  名称：

  New azole antagonists with high affinity for the P2Y1 receptor

  摘要：

  Five-membered-ring heterocyclic urea mimics have been found to be potent and selective antagonists of the P2Y(1) receptor. SAR of the various heterocyclic replacements is presented, as well as side-chain SAR of the more potent thiadiazole ring system which leads to thiadiazole 4c as a new antiplatelet agent. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.04.041

文献信息

• New azole antagonists with high affinity for the P2Y1 receptor
  作者：Réjean Ruel、Alexandre L’Heureux、Carl Thibeault、Jean-Paul Daris、Alain Martel、Laura A. Price、Qimin Wu、Ji Hua、Ruth R. Wexler、Robert Rehfuss、Patrick Y.S. Lam

  DOI：10.1016/j.bmcl.2013.04.041

  日期：2013.6

  Five-membered-ring heterocyclic urea mimics have been found to be potent and selective antagonists of the P2Y(1) receptor. SAR of the various heterocyclic replacements is presented, as well as side-chain SAR of the more potent thiadiazole ring system which leads to thiadiazole 4c as a new antiplatelet agent. (C) 2013 Elsevier Ltd. All rights reserved.