4,4′-(7-phenylpyrido[4,3-d]pyrimidin-2,4-diyl)dimorpholine | 61102-61-2

• 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: 4,4′-(7-phenylpyrido[4,3-d]pyrimidin-2,4-diyl)dimorpholine
• 英文别名: 2,2-Dimorpholino-7-phenylpyrido<4,3-d>pyrimidin；2,4-di-morpholin-4-yl-7-phenyl-pyrido[4,3-d]pyrimidine；Preparation of (4,4'-(7-phenylpyrido[4,3-d]pyrimidin-2,4-diyl)-dimorpholine)；4-(2-morpholin-4-yl-7-phenylpyrido[4,3-d]pyrimidin-4-yl)morpholine
• CAS: 61102-61-2
• 化学式: C₂₁H₂₃N₅O₂
• 分子量: 377.446
• InChiKey: IBPWEFNWIGMUKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  63.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  吗啉 、 7-Phenylpyrido<4,3-d>pyrimidin-2,4(1H,3H)-dion 生成 4,4′-(7-phenylpyrido[4,3-d]pyrimidin-2,4-diyl)dimorpholine
  参考文献：
  名称：

  Structure-activity study of diuretic azanaphthalene derivatives.

  摘要：

  Regression analysis by the Free-Wilson technique was applied to estimate the contribution of substituents on azanaphthalene skeletons to diuretic activity of pyrimido [4, 5-d] pyridazine and pyrido [3, 4-d] pyridazine derivatives. In the former group, one of the most preferable compounds was 2-phenyl-5, 8-dimorpholinopyrimido [4, 5-d] pyridazine and that in the latter group proved to be 1, 4-dimorpholine-7-phenylpyrido [3, 4-d] pyridazine. Subsequently, electron density distributions on a variety of azanaphthalene skeletons were calculated by extended Huckel Theory calculation. Linear multiple regression analysis to find a correlation between diuretic activity and electron density at some positions of azanaphthalene skeletons suggested that the diuretic activity might be influenced largely by electronic structures at the ring junction.

  DOI：

  10.1248/cpb.24.2078

文献信息

• Pyridopyrimidine Or Pyrimidopyrimidine Compound, Prepration Method, Pharmaceutical Composition, And Use Thereof
  申请人：Shanghai Institute of Materia Medica, Chinese Academy of Sciences

  公开号：US20150368274A1

  公开（公告）日：2015-12-24

  The present invention belongs to the field of pharmaceutical Chemistry. In particular, the present invention relates to a pyridopyrimidine or pyrimidopyrimidine compound as represented by general formula (I), or an isomer thereof or a pharmaceutically acceptable salt, ester, prodrug or solvate thereof, a preparation method, a pharmaceutical composition and uses thereof in preparing a mTOR inhibitor. As a mTOR inhibitor, the compound or the pharmaceutical composition thereof can be used for treating a disease or condition due to PI3K-AKT-mTOR signalling pathway malfunction.

  本发明属于药物化学领域。具体而言，本发明涉及一种由通式（I）表示的吡啶吡嘧啶或嘧啶吡嘧啶化合物，或其异构体或药学上可接受的盐、酯、前药或溶剂化合物，以及其制备方法、药物组合物及其在制备 mTOR 抑制剂中的用途。作为 mTOR 抑制剂，该化合物或其药物组合物可用于治疗由于 PI3K-AKT-mTOR 信号通路功能障碍引起的疾病或症状。
• PYRIDOPYRIMIDINE OR PYRIMIDOPYRIMIDINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF
  申请人：Shanghai Institute of Materia Medica, Chinese Academy of Sciences

  公开号：EP2966079A1

  公开（公告）日：2016-01-13

  The present invention belongs to the field of pharmaceutical Chemistry. In particular, the present invention relates to a pyridopyrimidine or pyrimidopyrimidine compound as represented by general formula (I), or an isomer thereof or a pharmaceutical acceptable salt, ester, prodrug or solvate thereof, a preparation method, a pharmaceutical composition and uses thereof in preparing a mTOR inhibitor. As a mTOR inhibitor, the compound or the pharmaceutical composition thereof can be used for treating a disease or condition due to PI3K-AKT-mTOR signalling pathway malfunction.

  本发明属于药物化学领域。具体而言，本发明涉及通式（I）代表的吡啶嘧啶或嘧啶嘧啶化合物或其异构体或其药物可接受盐、酯、原药或溶液剂、制备方法、药物组合物及其在制备 mTOR 抑制剂中的用途。作为一种 mTOR 抑制剂，该化合物或其药物组合物可用于治疗因 PI3K-AKT-mTOR 信号通路失常而导致的疾病或病症。
• [EN] PYRIDOPYRIMIDINE OR PYRIMIDOPYRIMIDINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF<br/>[FR] COMPOSÉ DE PYRIDOPYRIMIDINE OU DE PYRIMIDOPYRIMIDINE, PROCÉDÉ DE PRÉPARATION, COMPOSITION PHARMACEUTIQUE ET UTILISATION DE CELUI-CI
  申请人：SHANGHAI INST MATERIA MEDICA

  公开号：WO2014135028A1

  公开（公告）日：2014-09-12

  本发明属于药物化学领域。具体而言，本发明涉及一种如下通式（I）所示的吡啶并嘧啶或嘧啶并嘧啶类化合物或其异构体或其药学上可接受的盐、酯、前药或溶剂合物，其制备方法，药物组合物及其在制备mTOR抑制剂中的用途。该类化合物或其药物组合物作为mTOR抑制剂可用于治疗由PI3K-AKT-mTOR信号通路功能失调而导致的疾病或病症。
• US9796732B2
  申请人：——

  公开号：US9796732B2

  公开（公告）日：2017-10-24