3-[(3-Methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[(3-Methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
• 化学式: C₁₆H₁₇NO₃
• mdl: MFCD00167998
• 分子量: 271.31
• InChiKey: JIXWTVJWDIUOQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• RUNX2 Transcription Factor Inhibitors and Uses Thereof
  申请人：University of Maryland, Baltimore

  公开号：US20180086696A1

  公开（公告）日：2018-03-29

  Provide herein are compounds with a general chemical structure of: Substituents R 1 and R 2 independently are H, Cl, F, Br, CH 3 , CF 3 , SH, —N(C 1-3 alkyl) 2 , —NHC(O)C 1-3 alkyl, or —NHC(O)C 5-7 cycloalkyl, substituent R 3 is H or C 1-3 alkyl and R4 is a bridged cycloalkene such as a bridged cyclohexene or a bridge-substituted cyclohexene. The compounds are therapeutics to treat a cancer, such as breast cancer, or metastatic cancers, to inhibit RUNX2 activity, such as protein expression, in a cancer cell and to increase survival of a subject with breast cancer.