2,4-dichloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-4-(3-fluoropyridin-2-yl)piperidin-4-yl]methyl]benzamide | 1156439-29-0

• 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: 2,4-dichloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-4-(3-fluoropyridin-2-yl)piperidin-4-yl]methyl]benzamide
• CAS: 1156439-29-0
• 化学式: C₂₂H₁₉Cl₃FN₃O₃S₂
• 分子量: 562.901
• InChiKey: QOGDSAFVOGVXNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-氯噻唑-2-磺酰氯 、 2,4-dichloro-N-{[4-(3-fluoropyridin-2-yl)piperidin-4-yl]methyl}benzamide 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 2,4-dichloro-N-[[1-(5-chlorothiophen-2-yl)sulfonyl-4-(3-fluoropyridin-2-yl)piperidin-4-yl]methyl]benzamide
  参考文献：
  名称：

  Optimisation of a series of potent, selective and orally bioavailable GlyT1 inhibitors

  摘要：

  A series of heterocyclic sulfonamides have been developed which are potent and selective inhibitors of hGlyT1. SAR studies to optimise the in vitro and in vivo properties are described. Optimisation of the central scaffold resulted in cyclohexane sulfones 28 and 29, which have good PK properties and show promise for further development. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.102

文献信息

• Optimisation of a series of potent, selective and orally bioavailable GlyT1 inhibitors
  作者：Joanne L. Thomson、Wesley P. Blackaby、Andrew S.R. Jennings、Simon C. Goodacre、Andrew Pike、Steve Thomas、Terry A. Brown、Alison Smith、Gopalan Pillai、Leslie J. Street、Richard T. Lewis

  DOI：10.1016/j.bmcl.2009.02.102

  日期：2009.4

  A series of heterocyclic sulfonamides have been developed which are potent and selective inhibitors of hGlyT1. SAR studies to optimise the in vitro and in vivo properties are described. Optimisation of the central scaffold resulted in cyclohexane sulfones 28 and 29, which have good PK properties and show promise for further development. (c) 2009 Elsevier Ltd. All rights reserved.