2-(2-Chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethanone | 1152628-27-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(2-Chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethanone
• CAS: 1152628-27-7
• 化学式: C₁₂H₇Cl₃OS₂
• mdl: MFCD12740731
• 分子量: 337.678
• InChiKey: XYWZZZQPOHBPRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  70.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-Chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethanone 在 盐酸羟胺 作用下， 生成 N-[2-(2-chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethylidene]hydroxylamine
  参考文献：
  名称：

  Ago-allosteric modulators of human glucagon-like peptide 2 receptor

  摘要：

  Glucagon-like peptide 2 (GLP-2) is an intestinotropic peptide that binds to GLP-2 receptor (GLP-2R), a class-B G protein-coupled receptor (GPCR). Few synthetic agonists have been reported so far for class-B GPCRs. Here, we report the first scaffold compounds of ago-allosteric modulators for human GLP-2R, derived from methyl 2-{[(2Z)-2-(2,5-dichlorothiophen-3-yl)-2-(hydroxyimino) ethyl] sulfanyl}benzoate (compound 1). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.026
• 作为产物：
  描述：

  邻氯苯酚 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(2-Chlorophenyl)sulfanyl-1-(2,5-dichlorothiophen-3-yl)ethanone
  参考文献：
  名称：

  Ago-allosteric modulators of human glucagon-like peptide 2 receptor

  摘要：

  Glucagon-like peptide 2 (GLP-2) is an intestinotropic peptide that binds to GLP-2 receptor (GLP-2R), a class-B G protein-coupled receptor (GPCR). Few synthetic agonists have been reported so far for class-B GPCRs. Here, we report the first scaffold compounds of ago-allosteric modulators for human GLP-2R, derived from methyl 2-{[(2Z)-2-(2,5-dichlorothiophen-3-yl)-2-(hydroxyimino) ethyl] sulfanyl}benzoate (compound 1). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.026