Ethyl 5-(3-bromo-2-thienyl)-5-oxovalerate | 951889-22-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Ethyl 5-(3-bromo-2-thienyl)-5-oxovalerate
• 英文别名: ethyl 5-(3-bromothiophen-2-yl)-5-oxopentanoate
• CAS: 951889-22-8
• 化学式: C₁₁H₁₃BrO₃S
• 分子量: 305.192
• InChiKey: QOWLYHMPXWTAMU-UHFFFAOYSA-N

物化性质

• 沸点：
  396.2±37.0 °C(Predicted)
• 密度：
  1.435±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  71.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 5-(3-bromo-2-thienyl)-5-oxovalerate 在 溴 、 溶剂黄146 作用下， 以99%的产率得到
  参考文献：
  名称：

  A series of thiazole derivatives bearing thiazolidin-4-one as non-competitive ADAMTS-5 (aggrecanase-2) inhibitors

  摘要：

  A series of thiazole bearing thiazolidin-4-one was discovered via high-throughput screening as non-competitive inhibitors of ADAMTS-5. Compound 31 appeared to give the best ADAMTS-5 inhibition and good selectivity over other metalloproteases. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.121
• 作为产物：
  描述：

  乙醇 、 5-(3-Bromothiophen-2-yl)-5-oxopentanoic acid 在 硫酸 作用下， 以99%的产率得到Ethyl 5-(3-bromo-2-thienyl)-5-oxovalerate
  参考文献：
  名称：

  A series of thiazole derivatives bearing thiazolidin-4-one as non-competitive ADAMTS-5 (aggrecanase-2) inhibitors

  摘要：

  A series of thiazole bearing thiazolidin-4-one was discovered via high-throughput screening as non-competitive inhibitors of ADAMTS-5. Compound 31 appeared to give the best ADAMTS-5 inhibition and good selectivity over other metalloproteases. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.121

文献信息

• A series of thiazole derivatives bearing thiazolidin-4-one as non-competitive ADAMTS-5 (aggrecanase-2) inhibitors
  作者：Masakazu Atobe、Naomi Maekawara、Noriko Ishiguro、Shinya Sogame、Yoshihito Suenaga、Masashi Kawanishi、Hiroko Suzuki、Norimasa Jinno、Eiichi Tanaka、Shiro Miyoshi

  DOI：10.1016/j.bmcl.2013.01.121

  日期：2013.4

  A series of thiazole bearing thiazolidin-4-one was discovered via high-throughput screening as non-competitive inhibitors of ADAMTS-5. Compound 31 appeared to give the best ADAMTS-5 inhibition and good selectivity over other metalloproteases. (C) 2013 Elsevier Ltd. All rights reserved.