methyl 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylate | 1803604-59-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡咯类
• 英文名称: methyl 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylate
• CAS: 1803604-59-2
• 化学式: C₈H₆BrNO₂S
• mdl: MFCD28397551
• 分子量: 260.111
• InChiKey: SORDGAKAVQODMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  392.0±37.0 °C(Predicted)
• 密度：
  1.788±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  70.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylate 在 氯磺酸 作用下， 以 乙腈 为溶剂， 以93%的产率得到methyl 2-bromo-4-(chlorosulfonyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate
  参考文献：
  名称：

  FUSED PYRROLYL-SULFONAMIDE COMPOUNDS

  摘要：

  The present invention relates to a compound of formula (I), or a tautomer, a stereoisomer, a hydrate, a solvate, a polymorph, a prodrug, an isotope, or a co-crystal thereof, or a pharmaceutically acceptable salt thereof, (I) wherein A, R1, and R2are as defined in the description and claims. The present invention also relates to a pharmaceutical composition comprising a compound according to the invention, and a pharmaceutical acceptable carrier. The present invention also relates to the present compounds for use as a medicine and/or as diagnostics. The present invention also relates to the present compounds for use in the prevention and/or treatment of GPR17 mediated disorders, such as for example a disorder or syndrome selected from a myelination disorder and a disorder or syndrome associated with brain tissue damage.

  公开号：

  WO2024115733A1
• 作为产物：
  描述：

  6H-噻吩并[2,3-b]吡咯-5-羧酸甲酯 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 氯仿 为溶剂， 以80.2%的产率得到methyl 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylate
  参考文献：
  名称：

  FUSED PYRROLYL-SULFONAMIDE COMPOUNDS

  摘要：

  The present invention relates to a compound of formula (I), or a tautomer, a stereoisomer, a hydrate, a solvate, a polymorph, a prodrug, an isotope, or a co-crystal thereof, or a pharmaceutically acceptable salt thereof, (I) wherein A, R1, and R2are as defined in the description and claims. The present invention also relates to a pharmaceutical composition comprising a compound according to the invention, and a pharmaceutical acceptable carrier. The present invention also relates to the present compounds for use as a medicine and/or as diagnostics. The present invention also relates to the present compounds for use in the prevention and/or treatment of GPR17 mediated disorders, such as for example a disorder or syndrome selected from a myelination disorder and a disorder or syndrome associated with brain tissue damage.

  公开号：

  WO2024115733A1

文献信息

• Novel thienopyrrole glycogen phosphorylase inhibitors: Synthesis, in vitro SAR and crystallographic studies
  作者：Paul R.O. Whittamore、Matthew S. Addie、Stuart N.L. Bennett、Alan M. Birch、Michael Butters、Linda Godfrey、Peter W. Kenny、Andrew D. Morley、Paul M. Murray、Nikos G. Oikonomakos、Ludovic R. Otterbein、Andrew D. Pannifer、Jeremy S. Parker、Kristy Readman、Pawel S. Siedlecki、Paul Schofield、Andy Stocker、Melvyn J. Taylor、Linda A. Townsend、David P. Whalley、Jennifer Whitehouse

  DOI：10.1016/j.bmcl.2006.08.047

  日期：2006.11

  Two series of novel thienopyrrole inhibitors of recombinant human liver glycogen phosphorylase a (GPa) which are effective in reducing glucose output from rat hepatocytes are described. Representative compounds have been shown to bind at the dimer interface site of the rabbit muscle enzyme by X-ray crystallography.