N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4,5-trimethoxyphenyl)prop-2-ynamide | 1401089-17-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4,5-trimethoxyphenyl)prop-2-ynamide
• CAS: 1401089-17-5
• 化学式: C₂₃H₂₆N₂O₅S
• 分子量: 442.536
• InChiKey: JUWXGUWDXUUTNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon
  申请人：NEAMATI Nouri

  公开号：US20130071328A1

  公开（公告）日：2013-03-21

  This invention discloses a series of novel propynoic acid carbamoyl methyl-amides (PACMAs), methods for synthesizing the PACMAs and pharmaceutical compositions containing the PACMAs. These novel compounds and compositions show cytotoxicity in cancer cells and are useful as lead compounds for anti-cancer drugs or pharmaceutical agents. This invention also discloses treatment methods that uses the PACMAs and pharmaceutical compositions as well as methods for promoting the release and nuclear localization of the transcription factor Nrf2.