6-[(3-chlorophenyl)methylsulfanyl]-2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,4-diamine

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6-[(3-chlorophenyl)methylsulfanyl]-2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,4-diamine
• 化学式: C₁₉H₂₂ClN₅OS
• 分子量: 403.9
• InChiKey: LGBIVOYQTTWECW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  100
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF
  申请人：Del Mar Pharmaceuticals

  公开号：EP2872161A2

  公开（公告）日：2015-05-20
• [EN] METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF<br/>[FR] MÉTHODES DE TRAITEMENT DE MALIGNITÉS RÉSISTANTES À UN INHIBITEUR DE TYROSINE KINASE CHEZ DES PATIENTS AYANT DES POLYMORPHISMES GÉNÉTIQUES OU DES DÉRÉGULATIONS OU DES MUTATIONS D'AHI1 À L'AIDE DE DIANHYDROGALACTITOL, DIACÉTYLDIANHYDROGALACTITOL, DIBROMODULCITOL OU DES ANALOGUES OU DÉRIVÉS CORRESPONDANTS
  申请人：DEL MAR PHARMACEUTICALS

  公开号：WO2014004376A2

  公开（公告）日：2014-01-03

  Methods and compositions suitable for the treatment of malignancies in subjects with a germline deletion polymorphism that blocks the activity of thymidine kinase inhibitors in triggering apoptosis in tumor cells or in subjects having a mutation in or a dysregulation of the AHI1 gene are disclosed. These methods employ an alkylating hexitol derivative such as dianhydrogalactitol, a derivative or analog of dianhydrogalactitol, diacetyldianhydrogalactitol, a derivative or analog of diacetyldianhydrogalactitol, dibromodulcitol, and a derivative or analog of dibromodulcitol. The compositions can include such alkylating hexitol derivatives. The methods can further include administration of a BH3 mimetic, and the compositions can further include a BH3 mimetic. In subjects having a dysregulation of the AHI1 gene, the methods can further include the administration of an agent modulating the expression or activity of the AHI1 gene or AHI1 protein, and the compositions can further include such an agent.