1-O-tert-butyl 4-O-methyl 2-(5-bromopyridine-2-carbonyl)butanedioate | 1427728-81-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 1-O-tert-butyl 4-O-methyl 2-(5-bromopyridine-2-carbonyl)butanedioate
• CAS: 1427728-81-1
• 化学式: C₁₅H₁₈BrNO₅
• 分子量: 372.216
• InChiKey: HDCNRXYACIXWQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  82.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-O-tert-butyl 4-O-methyl 2-(5-bromopyridine-2-carbonyl)butanedioate 在 溴 、 对甲苯磺酸 、 溶剂黄146 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 ethyl 2-[4-(5-bromopyridin-2-yl)-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)methyl]-1,3-thiazol-5-yl]acetate
  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 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-O-tert-butyl 4-O-methyl 2-(5-bromopyridine-2-carbonyl)butanedioate
  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.