| 1226907-03-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1226907-03-4
• 化学式: C₂₁H₂₀N₂OS
• 分子量: 348.469
• InChiKey: BVICBGVOZZYVAN-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.39
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  34.15
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-Boc-N-methyl-L-alanine-L-dehydropyranylglycine 、 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：

  Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres

  摘要：

  A series of IAP antagonists based on thiazole or benzothiazole amide isosteres was designed and synthesized. These compounds were tested for binding to the XIAP-BIR3 and ML-IAP BIR using a fluorescence polarization assay. The most potent of these compounds, 19a and 33b, were found to have K(i)'s of 20-30 nM against ML-IAP and 50-60 nM against XIAP-BIR3.

  DOI：

  10.1016/j.bmcl.2010.02.021
• 作为产物：
  描述：

  C₂₆H₂₈N₂O₃S 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres

  摘要：

  A series of IAP antagonists based on thiazole or benzothiazole amide isosteres was designed and synthesized. These compounds were tested for binding to the XIAP-BIR3 and ML-IAP BIR using a fluorescence polarization assay. The most potent of these compounds, 19a and 33b, were found to have K(i)'s of 20-30 nM against ML-IAP and 50-60 nM against XIAP-BIR3.

  DOI：

  10.1016/j.bmcl.2010.02.021