3-[(3-Chlorophenyl)carbamoyl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-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-Chlorophenyl)carbamoyl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-5-ene-2-carboxylic acid
• 英文别名: 3-[(3-chlorophenyl)carbamoyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid
• 化学式: C₁₇H₁₆ClNO₃
• 分子量: 317.8
• InChiKey: KXGVCXAMUSZZDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 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：US10329246B2

  公开（公告）日：2019-06-25

  Provide herein are compounds with a general chemical structure of: Substituents R1 and R2 independently are H, Cl, F, Br, CH3, CF3, SH, —N(C1-3alkyl)2, —NHC(O)C1-3alkyl, or —NHC(O)C5-7cycloalkyl, substituent R3 is H or C1-3 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.

  本文提供的化合物具有以下一般化学结构： 取代基 R1 和 R2 独立地为 H、Cl、F、Br、CH3、CF3、SH、-N(C1-3 烷基)2、-NHC(O)C1-3 烷基或-NHC(O)C5-7 环烷基，取代基 R3 为 H 或 C1-3 烷基，R4 为桥式环烯，如桥式环己烯或桥式取代环己烯。这些化合物是治疗癌症（如乳腺癌）或转移性癌症的药物，可抑制癌细胞中 RUNX2 的活性（如蛋白表达），提高乳腺癌患者的存活率。
• 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.
• [EN] METHODS OF TREATMENT AND DIAGNOSIS OF TUMOURS<br/>[FR] MÉTHODES DE TRAITEMENT ET DE DIAGNOSTIC DE TUMEURS
  申请人：UEA ENTERPRISES LTD

  公开号：WO2020128534A1

  公开（公告）日：2020-06-25

  The invention relates to a method of treating a cartilage matrix-forming bone tumour and/or a metastatic cancer originating from a cartilage matrix-forming bone tumour, for example chondrosarcoma, in which one or more of an inhibitor of RUNX2 activity, an inhibitor of RUNX2 expression, an inhibitor of YBX1 activity and an inhibitor of YBX1 expression, is administered to a subject in need thereof. The invention also relates to an in vitro method for detecting the presence of a cartilage matrix-forming bone tumour in a subject or the risk of a subject developing a cartilage matrix-forming bone tumour, for example chondrosarcoma, in which the following steps are performed: (i) measuring the expression level of at least one of RUNX2 and YBX1 in a biological sample obtained from a subject, and (ii) comparing the expression level of RUNX2 and/or YBX1 in the biological sample obtained from the subject with the respective expression level of RUNX2 and/or YBX1 in normal cartilage or other biological material. A higher expression level of RUNX2 and/or YBX1 in the biological sample obtained from the subject compared to the respective expression level of RUNX2 and/or YBX1 in the normal cartilage or other biological material indicates the presence of or an increased risk of developing a cartilage matrix-forming bone tumour.