N4-(2,2’-bipyridin-3-yl)-N2-(3-methoxy-4-(4-methylpiperazin-1-yl)phenyl)pyrimidine2,4-diamine | 1628870-27-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N4-(2,2’-bipyridin-3-yl)-N2-(3-methoxy-4-(4-methylpiperazin-1-yl)phenyl)pyrimidine2,4-diamine
• 英文别名: Itacnosertib；2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-pyridin-2-ylpyridin-3-yl)pyrimidine-2,4-diamine
• CAS: 1628870-27-8
• 化学式: C₂₆H₂₈N₈O
• 分子量: 468.561
• InChiKey: XSQKEVGTZSBVBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  91.3
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N4-(2,2’-bipyridin-3-yl)-N2-(3-methoxy-4-(4-methylpiperazin-1-yl)phenyl)pyrimidine2,4-diamine 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以0.84%的产率得到N4-(2,2’-bipyridin-3-yl)-N2-(3-methoxy-4-(4-methylpiperazin-1-yl)phenyl)pyrimidine2,4-diamine hydrochloride salt
  参考文献：
  名称：

  [EN] METHODS FOR TREATING DISEASES ASSOCIATED WITH ABNORMAL ACVR1 EXPRESSION AND ACVR1 INHIBITORS FOR USE IN THE SAME
  [FR] PROCÉDÉS DE TRAITEMENT DE MALADIES ASSOCIÉES À L'EXPRESSION ANORMALE D'ACVR1 ET INHIBITEURS D'ACVR1 DESTINÉS À ÊTRE UTILISÉS DANS CEUX-CI

  摘要：

  Methods for treating a disease in a subject in need thereof by administering an ACVR1 inhibitor having the following formula (I) are disclosed: (I), including stereoisomers, tautomers, pharmaceutically acceptable salts and prodrugs thereof, wherein R1, R2, R3, and R4 are as defined herein. Subjects that may benefit from treatment may have mutations in their ACVR1 gene. Various diseases may be treated using the described methods, including cancers (e.g., diffuse intrinsic pontine glioma (DIPG)) and genetic disorders (e.g., fibrodysplasia ossificans progressiva (FOP)).

  公开号：

  WO2020023910A1

文献信息

• JAK2 and ALK2 inhibitors and methods for their use
  申请人：Tolero Pharmaceuticals, Inc.

  公开号：US10202356B2

  公开（公告）日：2019-02-12

  Compounds having activity as inhibitors of ALK2 kinase and/or JAK2 kinase are disclosed. The compounds have the following structure (I): including stereoisomers, tautomers, pharmaceutically acceptable salts and prodrugs thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, X, z and A are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  本发明公开了具有 ALK2 激酶和/或 JAK2 激酶抑制剂活性的化合物。这些化合物具有以下结构 (I)： 其中 R1、R2、R3、R4、R5、R6、R7、R8、X、z 和 A 如本文所定义。此外，还公开了与制备和使用此类化合物相关的方法，以及包含此类化合物的药物组合物。
• JAK1 and ALK2 inhibitors and methods for their use
  申请人：Tolero Pharmaceuticals, Inc.

  公开号：US10752594B2

  公开（公告）日：2020-08-25

  Compounds having activity as inhibitors of ALK2 kinase and/or JAK2 kinase are disclosed. The compounds have the following structure (I): including stereoisomers, tautomers, pharmaceutically acceptable salts and prodrugs thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, X, z and A are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  本发明公开了具有 ALK2 激酶和/或 JAK2 激酶抑制剂活性的化合物。这些化合物具有以下结构 (I)： 其中 R1、R2、R3、R4、R5、R6、R7、R8、X、z 和 A 如本文所定义。此外，还公开了与制备和使用此类化合物相关的方法，以及包含此类化合物的药物组合物。
• Methods for treating diseases associated with abnormal ACVR1 expression and ACVR1 inhibitors for use in the same
  申请人：Sumitomo Dainippon Pharma Oncology, Inc.

  公开号：US11040038B2

  公开（公告）日：2021-06-22

  Methods for treating a disease in a subject in need thereof by administering an ACVR1 inhibitor having the following formula (I) are disclosed: including stereoisomers, tautomers, pharmaceutically acceptable salts and prodrugs thereof, wherein R1, R2, R3, and R4 are as defined herein. Subjects that may benefit from treatment may have mutations in their ACVR1 gene. Various diseases may be treated using the described methods, including cancers (e.g., diffuse intrinsic pontine glioma (DIPG)) and genetic disorders (e.g., fibrodysplasia ossificans progressiva (FOP)).

  本发明公开了通过施用具有下式（I）的 ACVR1 抑制剂来治疗有需要的受试者疾病的方法： 包括其立体异构体、同系物、药学上可接受的盐和原药，其中 R1、R2、R3 和 R4 如本文所定义。可能从治疗中获益的受试者可能在其 ACVR1 基因中存在突变。可使用所述方法治疗各种疾病，包括癌症（如弥漫性内生性桥脑胶质瘤（DIPG））和遗传性疾病（如纤维增生性骨质疏松症（FOP））。
• [EN] JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE<br/>[FR] INHIBITEURS DE JAK2 ET ALK2 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：TOLERO PHARMACEUTICALS INC

  公开号：WO2014151871A9

  公开（公告）日：2014-12-31
• JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE
  申请人：Tolero Pharmaceuticals, Inc.

  公开号：EP2970205B1

  公开（公告）日：2019-05-08