N-(2-(cyclohex-1-en-1-yl)ethyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并哒嗪类
• 英文名称: N-(2-(cyclohex-1-en-1-yl)ethyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• 英文别名: N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• 化学式: C₁₄H₁₉N₅
• 分子量: 257.33
• InChiKey: NCACTGQDGOLTBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• TAF1 inhibitors for the therapy of cancer
  申请人：CeMM—Forschungszentrum für Molekulare Medizin GmbH

  公开号：US10702518B2

  公开（公告）日：2020-07-07

  The present invention relates to lactam derivatives of formula (I) for use as medicaments as well as pharmaceutical compositions comprising these compounds, particularly for use as inhibitors of the bromodomain-containing protein TAF1 (i.e., transcription initiation factor TFIID subunit 1) and for use in the treatment or prevention of cancer.

  本发明涉及用作药物的式(I)内酰胺衍生物以及包含这些化合物的药物组合物，特别是用作含溴结构域蛋白 TAF1（即转录起始因子 TFIID 亚基 1）的抑制剂以及用于治疗或预防癌症。
• TAF1 INHIBITORS FOR THE THERAPY OF CANCER
  申请人：CeMM - Forschungszentrum für Molekulare Medizin GmbH

  公开号：US20190117641A1

  公开（公告）日：2019-04-25

  The present invention relates to lactam derivatives of formula (I) for use as medicaments as well as pharmaceutical compositions comprising these compounds, particularly for use as inhibitors of the bromodomain-containing protein TAF1 (i.e., transcription initiation factor TFIID subunit 1) and for use in the treatment or prevention of cancer.
• COMBINATION OF A BRD4 INHIBITOR AND AN ANTIFOLATE FOR THE THERAPY OF CANCER
  申请人：CeMM-Forschungszentrum für Molekulare Medizin GmbH

  公开号：US20190262355A1

  公开（公告）日：2019-08-29

  The present invention relates to the combination of a BRD4 inhibitor with an antifolate (particularly an MTHFD1 inhibitor) for use in the treatment or prevention of cancer. The invention also relates to an antifolate (particularly an MTHFD1 inhibitor) for use in resensitizing a BRD4 inhibitor-resistant cancer to the treatment with a BRD4 inhibitor. The invention further provides a pharmaceutical composition comprising a BRD4 inhibitor, an antifolate (particularly an MTHFD1 inhibitor), and a pharmaceutically acceptable excipient. Moreover, the invention provides a method of assessing the susceptibility or responsiveness of a subject to the treatment with a BRD4 inhibitor, wherein the subject has been diagnosed as suffering from cancer or is suspected of suffering from cancer, the method comprising determining the level of nuclear folate and/or the level of expression of MTHFD1 in a sample obtained from the subject.