2-cyano-N-(2-cyclopropyl-1-(4-methoxyphenyl)ethyl)acetamide | 1567834-65-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-cyano-N-(2-cyclopropyl-1-(4-methoxyphenyl)ethyl)acetamide
• CAS: 1567834-65-4
• 化学式: C₁₅H₁₈N₂O₂
• 分子量: 258.32
• InChiKey: SYJPVYIXBILDLT-UHFFFAOYSA-N

物化性质

• 沸点：
  498.6±40.0 °C(predicted)
• 密度：
  1.147±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.57
• 重原子数：
  19.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  62.12
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  间苯二甲醛 、 2-cyano-N-(2-cyclopropyl-1-(4-methoxyphenyl)ethyl)acetamide 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 (E)-2-cyano-3-[3-[(E)-2-cyano-3-[[2-cyclopropyl-1-(4-methoxyphenyl)ethyl]amino]-3-oxoprop-1-enyl]phenyl]-N-[2-cyclopropyl-1-(4-methoxyphenyl)ethyl]prop-2-enamide
  参考文献：
  名称：

  Degrasyn-like symmetrical compounds: Possible therapeutic agents for multiple myeloma (MM-I)

  摘要：

  A series of degrasyn-like symmetrical compounds have been designed, synthesized, and screened against B cell malignancy (multiple myeloma, mantle cell lymphoma) cell lines. The lead compounds T5165804 and CP2005 showed higher nanomolar potency against these tumor cells in comparison to degrasyn and inhibited Usp9x activity in vitro and in intact cells. These observations suggest that this new class of compounds holds promise as cancer therapeutic agents. (C) 2014 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2013.12.048
• 作为产物：
  描述：

  2-Cyclopropyl-1-(4-methoxyphenyl)ethanamine 、 氰乙酸甲酯 生成 2-cyano-N-(2-cyclopropyl-1-(4-methoxyphenyl)ethyl)acetamide
  参考文献：
  名称：

  Degrasyn-like symmetrical compounds: Possible therapeutic agents for multiple myeloma (MM-I)

  摘要：

  A series of degrasyn-like symmetrical compounds have been designed, synthesized, and screened against B cell malignancy (multiple myeloma, mantle cell lymphoma) cell lines. The lead compounds T5165804 and CP2005 showed higher nanomolar potency against these tumor cells in comparison to degrasyn and inhibited Usp9x activity in vitro and in intact cells. These observations suggest that this new class of compounds holds promise as cancer therapeutic agents. (C) 2014 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2013.12.048