6-Bromo-3-chloro-1-benzothiophene-2-carboxamide | 959246-31-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 6-Bromo-3-chloro-1-benzothiophene-2-carboxamide
• CAS: 959246-31-2
• 化学式: C₉H₅BrClNOS
• mdl: MFCD09872993
• 分子量: 290.568
• InChiKey: VCFXAMVWIUJAOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-Bromo-3-chloro-1-benzothiophene-2-carboxamide 在 copper(l) iodide 、 lithium aluminium tetrahydride 、 四(三苯基膦)钯 、 四丁基氟化铵 、 三乙胺 、 三氟乙酸酐 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 tert-butyl ((6-((3-acetylphenyl)ethynyl)-3-chlorobenzo[b]thiophen-2-yl)methyl)carbamate
  参考文献：
  名称：

  Identification of non-amidine inhibitors of acid-sensing ion channel-3 (ASIC3)

  摘要：

  A series of benzothiophene methyl amines were examined in an effort to identify non-amidine chemotypes with reduced polypharmacology from existing leads with the goal of finding potent ASIC3 channel blockers to advance the therapeutic evaluation of ASIC3 inhibition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.064
• 作为产物：
  描述：

  3-氯-6-溴-2-苯并噻吩甲酰氯 在 氨 作用下， 以 甲醇 为溶剂， 生成 6-Bromo-3-chloro-1-benzothiophene-2-carboxamide
  参考文献：
  名称：

  Identification of non-amidine inhibitors of acid-sensing ion channel-3 (ASIC3)

  摘要：

  A series of benzothiophene methyl amines were examined in an effort to identify non-amidine chemotypes with reduced polypharmacology from existing leads with the goal of finding potent ASIC3 channel blockers to advance the therapeutic evaluation of ASIC3 inhibition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.064

文献信息

• Identification of non-amidine inhibitors of acid-sensing ion channel-3 (ASIC3)
  作者：Scott D. Kuduk、Ronald K. Chang、Christina N. Di Marco、Robert M. DiPardo、Sean P. Cook、Matthew J. Cato、Aneta Jovanovska、Mark O. Urban、Michael Leitl、Robert H. Spencer、Stefanie A. Kane、George D. Hartman、Mark T. Bilodeau

  DOI：10.1016/j.bmcl.2011.05.064

  日期：2011.7

  A series of benzothiophene methyl amines were examined in an effort to identify non-amidine chemotypes with reduced polypharmacology from existing leads with the goal of finding potent ASIC3 channel blockers to advance the therapeutic evaluation of ASIC3 inhibition. (C) 2011 Elsevier Ltd. All rights reserved.