3-(2-Methyl-5-nitrophenyl)prop-2-enoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 3-(2-Methyl-5-nitrophenyl)prop-2-enoic acid
• 英文别名: (E)-3-(2-methyl-5-nitrophenyl)prop-2-enoic acid
• 化学式: C10H9NO4
• 分子量: 207.18
• InChiKey: ZMPFRGSODBBQCJ-HWKANZROSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS
  申请人：Quadriga Biosciences, Inc.

  公开号：EP3102194A1

  公开（公告）日：2016-12-14
• US9682921B2
  申请人：——

  公开号：US9682921B2

  公开（公告）日：2017-06-20
• US9937139B2
  申请人：——

  公开号：US9937139B2

  公开（公告）日：2018-04-10
• [EN] BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS<br/>[FR] ACIDES GAMMA-AMINÉS BÊTA-SUBSTITUÉS ET ANALOGUES EN TANT QU'AGENTS CHIMIOTHÉRAPEUTIQUES
  申请人：QUADRIGA BIOSCIENCES INC

  公开号：WO2015117146A1

  公开（公告）日：2015-08-06

  β-Substituted -amino acids, β-substituted γ-amino acid derivatives, and β-substituted γ-amino acid analogs and (bio)isosteres and their use as chemotherapeutic agents are disclosed. The β-substituted γ-amino acid derivatives and β-substituted γ-amino acid analogs and (bio)isosteres are selective LAT1/4F2hc substrates, capable of passing through the bloodbrain barrier, and exhibit rapid uptake and retention in tumors expressing the LAT1/4F2hc transporter. Methods of synthesizing the β-substituted γ-amino acid derivatives and β-substituted γ-amino acid analogs and (bio)isosteres and methods of using the compounds for treating tumors are also disclosed. The β-substituted γ-amino acid derivatives and β-substituted γ-amino acid analogs and (bio)isosteres exhibit an improved selectivity toward tumor cells expressing the LAT1/4F2hc transporter and accumulate in cancerous cells when administered to a subject in vivo. The β-substituted γ-amino acid derivatives and β-substituted γ-amino acid analogs and (bio)isosteres exhibit an increased efficacy on a variety of tumor types.