1-(2,5-Dichlorothiophen-3-yl)-2-(2-methylphenyl)sulfanylethanone | 1282935-04-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-(2,5-Dichlorothiophen-3-yl)-2-(2-methylphenyl)sulfanylethanone
• CAS: 1282935-04-9
• 化学式: C₁₃H₁₀Cl₂OS₂
• mdl: MFCD19485074
• 分子量: 317.26
• InChiKey: FWEXLEPQXWTAHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.153
• 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：

  1-(2,5-Dichlorothiophen-3-yl)-2-(2-methylphenyl)sulfanylethanone 在 盐酸羟胺 作用下， 生成 C₁₃H₁₁Cl₂NOS₂
  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：

  邻甲酚 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-(2,5-Dichlorothiophen-3-yl)-2-(2-methylphenyl)sulfanylethanone
  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

文献信息

• Ago-allosteric modulators of human glucagon-like peptide 2 receptor
  作者：Kazuto Yamazaki、Hiroki Terauchi、Daisuke Iida、Hironori Fukumoto、Shuichi Suzuki、Takaki Kagaya、Mika Aoki、Koichiro Koyama、Takashi Seiki、Kazuma Takase、Misako Watanabe、Tohru Arai、Kappei Tsukahara、Junichi Nagakawa

  DOI：10.1016/j.bmcl.2012.08.026

  日期：2012.10

  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.