3-[4-({5-[3-(methoxycarbonyl)phenyl]-2-furyl}methylene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic 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-[4-({5-[3-(methoxycarbonyl)phenyl]-2-furyl}methylene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
• 英文别名: 3-[(4Z)-4-[[5-(3-methoxycarbonylphenyl)furan-2-yl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
• 化学式: C₂₄H₁₅F₃N₂O₆
• 分子量: 484.4
• InChiKey: RYXKZJIRTNQUKS-PDGQHHTCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• [EN] KU INHIBITORS AND THEIR USE<br/>[FR] INHIBITEURS DE KU ET LEUR UTILISATION
  申请人：UNIV INDIANA RES & TECH CORP

  公开号：WO2017205503A1

  公开（公告）日：2017-11-30

  The present disclosure relates to certain compounds having binding affinity for Ku, and uses thereof. Specifically, the present disclosure relates to the use of Ku inhibitors as described herein in site-specific genome engineering technologies, including but not limited to CRISPR/Cas9, Zinc finger nuclease (ZFN), Transcription activator-like effector nuclease (TALEN), and meganuclease. The present disclosure also relates to kits useful for site-specific genome engineering that include at least one compound as described herein.

  本公开涉及具有与Ku结合亲和力的某些化合物及其用途。具体而言，本公开涉及在位点特异性基因组工程技术中使用如本文所述的Ku抑制剂，包括但不限于CRISPR/Cas9、锌指核酸酶（ZFN）、转录激活因子样效应核酸酶（TALEN）和巨核核酸酶。本公开还涉及用于位点特异性基因组工程的工具包，其中包括至少一种如本文所述的化合物。
• XPA inhibitor compounds and their use
  申请人：INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION

  公开号：US11207296B2

  公开（公告）日：2021-12-28

  The present disclosure relates to certain compounds having binding affinity for XPA, and uses thereof. Specifically, the present disclosure relates to the use of XPA inhibitors as described herein in in methods of treating cancer.

  本公开涉及某些对 XPA 具有结合亲和力的化合物及其用途。 具体而言，本公开涉及本文所述的 XPA 抑制剂在治疗癌症方法中的用途。
• XPA INHIBITOR COMPOUNDS AND THEIR USE
  申请人：INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION

  公开号：US20200222367A1

  公开（公告）日：2020-07-16

  The present disclosure relates to certain compounds having binding affinity for XPA, and uses thereof. Specifically, the present disclosure relates to the use of XPA inhibitors as described herein in in methods of treating cancer.
• KU INHIBITORS AND THEIR USE
  申请人：Indiana University Research and Technology Corporation

  公开号：US20200308154A1

  公开（公告）日：2020-10-01

  The present disclosure relates to certain compounds having binding affinity for Ku, and uses thereof. Specifically, the present disclosure relates to the use of Ku inhibitors as described herein in site-specific genome engineering technologies, including but not limited to CRISPR/Cas9, Zinc finger nuclease (ZFN), Transcription activator-like effector nuclease (TALEN), and meganuclease. The present disclosure also relates to kits useful for site-specific genome engineering that include at least one compound as described herein.