3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-methylphenyl)prop-2-en-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-methylphenyl)prop-2-en-1-one
• 化学式: C₁₈H₁₆N₂OS
• 分子量: 308.4
• InChiKey: LZXWMNJCTGTACQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• RATIONAL THERAPEUTIC TARGETING OF ONCOGENIC IMMUNE SIGNALING STATES IN MYELOID MALIGNANCIES VIA THE UBIQUITIN CONJUGATING ENZYME UBE2N
  申请人：Children's Hospital Medical Center

  公开号：EP3983533A1

  公开（公告）日：2022-04-20
• [EN] RATIONAL THERAPEUTIC TARGETING OF ONCOGENIC IMMUNE SIGNALING STATES IN MYELOID MALIGNANCIES VIA THE UBIQUITIN CONJUGATING ENZYME UBE2N<br/>[FR] CIBLAGE THÉRAPEUTIQUE RATIONNEL D'ÉTATS DE SIGNALISATION IMMUNITAIRE ONCOGÈNES DANS DES MALIGNITÉS MYÉLOÏDES PAR L'INTERMÉDIAIRE DE L'ENZYME DE CONJUGAISON D'UBIQUITINE UBE2N
  申请人：CHILDRENS HOSPITAL MED CT

  公开号：WO2020252487A1

  公开（公告）日：2020-12-17

  Methods and compositions disclosed herein generally relate to compositions and methods for suppressing hematopoietic stem and progenitor cells (HSPCs) and the treatment of diseases or disorders involving UBE2N, such as cancers, including disorders such as myelodysplastic syndrome (MDS) and acute myeloid leukemia (AML) and chronic inflammatory disorders. Particular aspects relate to treating, e.g. acute myelomonocytic leukemia (AML-M4) and acute monocytic leukemia (AML-M5). Particular aspects of the invention relate to determining an individual in need of treatment who can be treated with a UBE2N inhibitor, such as an individual having AML-M4 and/or AML-M5. The invention further relates to using a UBE2N inhibitor to treat a disease or disorder characterized by malignant hematopoietic cells, as well as other cancers, and chronic inflammatory disorders, and as immune checkpoint regulators.