5-{[3-(dimethylamino)propyl]amino}-9,10-dimethyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one | 380455-04-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 5-{[3-(dimethylamino)propyl]amino}-9,10-dimethyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
• 英文别名: 8-[3-(dimethylamino)propylamino]-13,14-dimethyl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
• CAS: 380455-04-9
• 化学式: C₂₀H₂₃N₅OS
• mdl: MFCD03028363
• 分子量: 381.5
• InChiKey: WFIFNWRTUCZOSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  88.5
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• ACTIVATORS AND THERAPEUTIC APPLICATIONS THEREOF
  申请人：The Johns Hopkins University

  公开号：EP3427736A1

  公开（公告）日：2019-01-16

  The invention presents methods of identifying small molecule compounds that are activators of the tumor suppressor protein p53 pathway and its associated family members p63 and p73. The invention is further drawn to using the small molecule compounds in methods of killing tumor cells and treating cancers or other conditions requiring activation of the p53 pathway, including DNA damage response pathways.

  本发明提出了鉴定小分子化合物的方法，这些化合物是肿瘤抑制蛋白 p53 通路及其相关家族成员 p63 和 p73 的激活剂。本发明进一步引出了在杀死肿瘤细胞和治疗癌症或其他需要激活 p53 通路（包括 DNA 损伤反应通路）的病症的方法中使用小分子化合物的方法。
• ALK KINASE INHIBITOR AND ITS USE
  申请人：Macau University of Science and Technology

  公开号：US20180050037A1

  公开（公告）日：2018-02-22

  A compound for treating a disease, in particular cancer like non-small cell lung cancer, exceptionally inhibits activity of oncogenic ALK kinase. Compositions, particularly pharmaceutical compositions, are provided comprising this compound. Methods for targeting cancer cells harboring an abnormality in the ALK gene are also The compound for treating a disease has certain structural elements, namely a tricyclic, more specifically heterocyclic, backbone as the core part of the compound at least one highly electronegative atom in form of a tertiary amine attached to the backbone via an at most 6-membered linking group with a terminal highly electronegative atom in form of a nitrogen as secondary amine, and a further hydrophobic moiety fused to the backbone. The structural components allow for an advantageous interaction with the ALK kinase domain. The compound therefor represents a highly promising treatment option for patients in particular those bearing ALK-dependent non-small cell lung cancer.
• US8680107B2
  申请人：——

  公开号：US8680107B2

  公开（公告）日：2014-03-25
• [EN] ACTIVATORS AND THERAPEUTIC APPLICATIONS THEREOF<br/>[FR] ACTIVATEURS ET LEURS APPLICATIONS THÉRAPEUTIQUES
  申请人：LAIHO MARIKKI

  公开号：WO2008155441A1

  公开（公告）日：2008-12-24

  [EN] The present invention methods of identifying small molecule compounds that are activators of tumor suppressor p53, and its associated family members p63 and p73, function. The invention is further drawn to methods of killing tumor cells and treating cancers or other conditions requiring activation of the p53 family member pathways with the small molecules.
  [FR] La présente invention concerne des méthodes d'identification de composés sous forme de molécules de petite taille qui sont des activateurs de la fonction du suppresseur tumoral p53 et des membres de la même famille qui lui sont associés, p63 et p73. L'invention concerne également des méthodes de mise à mort de cellules tumorales et de traitement de cancers ou d'autres affections requérant l'activation des voies des membres de la famille p53 au moyen de ces molécules de petite taille.
• [EN] INHIBITORS OF EXO1 IN COMBINATION WITH OTHER CANCER DRUGS TO INHIBIT CANCER CELLS<br/>[FR] INHIBITEURS D'EXO1 EN ASSOCIATION AVEC D'AUTRES MÉDICAMENTS ANTICANCÉREUX POUR INHIBER LA CROISSANCE DE CELLULES CANCÉREUSES
  申请人：[en]DANA-FARBER CANCER INSTITUTE, INC.

  公开号：WO2022093919A1

  公开（公告）日：2022-05-05

  Disclosed are compounds and their pharmaceutically acceptable salts that possess inhibitory activity against EXO1, and methods of using the compounds and salts to treat cancer and precancerous conditions.