2-(3-Fluoro-5-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole | 1268263-06-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(3-Fluoro-5-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
• CAS: 1268263-06-4
• 化学式: C₁₉H₂₅FN₄OS
• 分子量: 376.498
• InChiKey: IIUPBTZQCFRXSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  间氟苯甲醚 在 bis-triphenylphosphine-palladium(II) chloride 、 bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 2,6-二叔丁基吡啶 、 potassium carbonate 作用下， 生成 2-(3-Fluoro-5-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
  参考文献：
  名称：

  Discovery of a series of potent arylthiadiazole H3 antagonists

  摘要：

  A series of 2-piperidinopiperidine-5-arylthiadiazoles was synthesized and subjected to a structure-activity relationship (SAR) investigation. The potency of this series was improved to the single digit nanomolar range. The key analogs were shown to be free of P450 issues, and they also maintained good ex vivo activity and brain penetration. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.065

文献信息

• Discovery of a series of potent arylthiadiazole H3 antagonists
  作者：Dong Xiao、Anandan Palani、Michael Sofolarides、Ying Huang、Robert Aslanian、Henry Vaccaro、Liwu Hong、Brian McKittrick、Robert E. West、Shirley M. Williams、Ren-Long Wu、Joyce Hwa、Christopher Sondey、Jean Lachowicz

  DOI：10.1016/j.bmcl.2010.11.065

  日期：2011.1

  A series of 2-piperidinopiperidine-5-arylthiadiazoles was synthesized and subjected to a structure-activity relationship (SAR) investigation. The potency of this series was improved to the single digit nanomolar range. The key analogs were shown to be free of P450 issues, and they also maintained good ex vivo activity and brain penetration. (C) 2010 Elsevier Ltd. All rights reserved.