3-((6-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(4-(3-(methylamino)propyl)pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid | 1373483-72-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-((6-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(4-(3-(methylamino)propyl)pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
• 英文别名: 3-[[2-[4-[3-(Methylamino)propyl]pyridin-2-yl]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid
• CAS: 1373483-72-7
• 化学式: C₂₆H₃₂N₆O₂
• 分子量: 460.579
• InChiKey: JXDMCSUGJYBOGN-UHFFFAOYSA-N

物化性质

• 沸点：
  670.5±55.0 °C(Predicted)
• 密度：
  1.225±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  Ethyl N-[2-{4-[3-(methylamino)propyl]-2-pyridinyl}-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-β-alaninate 以 四氢呋喃 、 水 为溶剂， 以97%的产率得到3-((6-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(4-(3-(methylamino)propyl)pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
  参考文献：
  名称：

  Immobilization products and methods for the identification of histone demethylase interacting molecules and for the purification of histone demethylase proteins

  摘要：

  本发明涉及包含式(I)化合物的固定化产品及其制备方法，以及用于识别组蛋白去甲基化酶相互作用化合物或用于纯化或鉴定组蛋白去甲基化酶蛋白的方法和用途。

  公开号：

  EP2592154A1

文献信息

• Methods for treating T-cell acute lymphoblastic leukemia
  申请人：New York University

  公开号：US10206930B2

  公开（公告）日：2019-02-19

  The present invention is directed to methods of treating T-ALL that involve administering an inhibitor of jumonji D3 (JMJD3) demethylase. Another embodiment of the invention relates to methods inhibiting T-ALL cell proliferation and/or survival that involves administering an inhibitor of jumonji D3 (JMJD3) demethylase to a population of T-ALL cells.

  本发明涉及治疗T-ALL的方法，该方法涉及给药Jumonji D3（JMJD3）去甲基化酶抑制剂。本发明的另一个实施方案涉及抑制T-ALL细胞增殖和/或存活的方法，该方法涉及对T-ALL细胞群施用朱梦吉D3（JMJD3）去甲基化酶抑制剂。
• METHODS FOR TREATING T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA
  申请人：AIFANTIS Iannis

  公开号：US20170042904A1

  公开（公告）日：2017-02-16

  The present invention is directed to methods of treating T-ALL that involve administering an inhibitor of jumonji D3 (JMJD3) demethylase. Another embodiment of the invention relates to methods inhibiting T-ALL cell proliferation and/or survival that involves administering an inhibitor of jumonji D3 (JMJD3) demethylase to a population of T-ALL cells.
• METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES
  申请人：University of Houston System

  公开号：US20220202792A1

  公开（公告）日：2022-06-30

  The present disclosure provides methods and formulations for treating a patient suffering from one or more of chronic inflammatory injury, metaplasia, dysplasia or cancer of an epithelial tissue, which method comprises administering to the patient an agent that selectively kills or inhibits the proliferation or differentiation of pathogenic epithelial stem cells (PESCs) relative to normal epithelial stem cells in the tissue in which the PESCs are found. Representative epithelial tissues include pulmonary, genitourinary, gastrointestinal/esophageal, pancreatic and hepatic tissues.
• [EN] METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES<br/>[FR] MÉTHODES ET COMPOSITIONS POUR TRAITER UNE LÉSION INFLAMMATOIRE CHRONIQUE, UNE MÉTAPLASIE, UNE DYSPLASIE ET DES CANCERS DES TISSUS ÉPITHÉLIAUX
  申请人：UNIV HOUSTON SYSTEM

  公开号：WO2020219963A1

  公开（公告）日：2020-10-29

  The present disclosure provides methods and formulations for treating a patient suffering from one or more of chronic inflammatory injury, metaplasia, dysplasia or cancer of an epithelial tissue, which method comprises administering to the patient an agent that selectively kills or inhibits the proliferation or differentiation of pathogenic epithelial stem cells (PESCs) relative to normal epithelial stem cells in the tissue in which the PESCs are found. Representative epithelial tissues include pulmonary, genitourinary, gastrointestinal/esophageal, pancreatic and hepatic tissues.