methyl 2-amino-4H,5H,6H-cyclopenta[d][1,3]thiazole-4-carboxylate | 1176127-21-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 2-amino-4H,5H,6H-cyclopenta[d][1,3]thiazole-4-carboxylate
• 英文别名: methyl 2-amino-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
• CAS: 1176127-21-1
• 化学式: C₈H₁₀N₂O₂S
• 分子量: 198.246
• InChiKey: KIQDWOHFEUQIGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  93.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2-amino-4H,5H,6H-cyclopenta[d][1,3]thiazole-4-carboxylate 、 BOC-N-甲基-L-丙氨酸 在 N-羟基-7-氮杂苯并三氮唑 、 N,N'-二异丙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Design and synthesis of a simplified inhibitor for XIAP-BIR3 domain

  摘要：

  Based on tetrapeptide AVPI, we were able to design and synthesize a new simplified scaffold to inhibit the BIR3 domain of the XIAP protein at low micromolar range. The uncomplicated synthesis and the binding activity of the molecule disclosed here represent an attractive alternative to develop new compounds targeting the protein-protein interaction of XIAP/caspase9. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.058
• 作为产物：
  描述：

  3-溴-2-氧代环戊烷-1-羧酸甲酯 、 硫脲 以 乙醇 为溶剂， 生成 methyl 2-amino-4H,5H,6H-cyclopenta[d][1,3]thiazole-4-carboxylate
  参考文献：
  名称：

  Design and synthesis of a simplified inhibitor for XIAP-BIR3 domain

  摘要：

  Based on tetrapeptide AVPI, we were able to design and synthesize a new simplified scaffold to inhibit the BIR3 domain of the XIAP protein at low micromolar range. The uncomplicated synthesis and the binding activity of the molecule disclosed here represent an attractive alternative to develop new compounds targeting the protein-protein interaction of XIAP/caspase9. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.058