N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide | 1431945-94-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
• CAS: 1431945-94-6
• 化学式: C₁₆H₂₁N₅OS₂
• 分子量: 363.508
• InChiKey: ZDTGFZLFPOZTDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4,5,6,7-四氢苯并噻唑-2-胺 在 三乙胺 、 potassium iodide 作用下， 以 四氢呋喃 为溶剂， 生成 N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
  参考文献：
  名称：

  Arylpiperazines as fatty acid transport protein 1 (FATP1) inhibitors with improved potency and pharmacokinetic properties

  摘要：

  The discovery and optimization of a novel series of FATP1 inhibitors are described. Through the derivatization process, arylpiperazine derivatives 5k and 12a were identified as possessing potent in vitro activity against human and mouse FATP1s as well as excellent pharmacokinetic properties. In vivo evaluation of triglyceride accumulation in the liver, white gastrocnemius muscle and soleus is also described. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.116

文献信息

• Arylpiperazines as fatty acid transport protein 1 (FATP1) inhibitors with improved potency and pharmacokinetic properties
  作者：Tetsuyoshi Matsufuji、Mika Ikeda、Asuka Naito、Masakazu Hirouchi、Shoichi Kanda、Masanori Izumi、Jun Harada、Tsuyoshi Shinozuka

  DOI：10.1016/j.bmcl.2013.02.116

  日期：2013.5

  The discovery and optimization of a novel series of FATP1 inhibitors are described. Through the derivatization process, arylpiperazine derivatives 5k and 12a were identified as possessing potent in vitro activity against human and mouse FATP1s as well as excellent pharmacokinetic properties. In vivo evaluation of triglyceride accumulation in the liver, white gastrocnemius muscle and soleus is also described. (C) 2013 Elsevier Ltd. All rights reserved.