Methyl 5-(5-bromopyridin-2-yl)-5-oxopentanoate | 1427728-87-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl 5-(5-bromopyridin-2-yl)-5-oxopentanoate
• 英文别名: methyl 5-(5-bromopyridin-2-yl)-5-oxopentanoate
• CAS: 1427728-87-7
• 化学式: C₁₁H₁₂BrNO₃
• 分子量: 286.125
• InChiKey: ZTYVMYFXGAYDEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  56.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 5-(5-bromopyridin-2-yl)-5-oxopentanoate 在 溴 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 ethyl 3-[4-(5-bromopyridin-2-yl)-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)methyl]-1,3-thiazol-5-yl]propanoate
  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：

  5-溴-2-吡啶羧酸 在 sodium hydride 、 对甲苯磺酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 Methyl 5-(5-bromopyridin-2-yl)-5-oxopentanoate
  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.