2-(1,3-Dihydro-5,6-dimethoxy-2H-isoindol-2-yl)-N-[4-(1-piperazinyl)-3-pyridinyl]-4-pyrimidinecarboxamide | 1107624-13-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-(1,3-Dihydro-5,6-dimethoxy-2H-isoindol-2-yl)-N-[4-(1-piperazinyl)-3-pyridinyl]-4-pyrimidinecarboxamide
• 英文别名: 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-ylpyridin-3-yl)pyrimidine-4-carboxamide
• CAS: 1107624-13-4
• 化学式: C₂₄H₂₇N₇O₃
• 分子量: 461.523
• InChiKey: OHBZZZGITBVXDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  Tert-butyl 4-[3-[[2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carbonyl]amino]pyridin-4-yl]piperazine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-(1,3-Dihydro-5,6-dimethoxy-2H-isoindol-2-yl)-N-[4-(1-piperazinyl)-3-pyridinyl]-4-pyrimidinecarboxamide
  参考文献：
  名称：

  [EN] HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS
  [FR] COMPOSÉS HÉTÉROCYCLIQUES D'AMIDE EN TANT QU'INHIBITEURS DE PROTÉINE KINASE

  摘要：

  公开号：

  WO2009014637A3

文献信息

• [EN] COMPOSITIONS AND METHODS FOR TREATING CANCER<br/>[FR] COMPOSITIONS ET MÉTHODES DE TRAITEMENT DU CANCER
  申请人：MERCK SHARP & DOHME

  公开号：WO2013039854A1

  公开（公告）日：2013-03-21

  The instant invention provides a method of treating a cancer, selected from the group consisting of breast cancer, melanoma, colorectal cancer, non-small cell lung cancer and ovarian cancer, by administering a combination of a WEE1 inhibitor and a CHK1 inhibitor, wherein the WEE1 inhibitor is MK-1775 or a pharmaceutically acceptable salt thereof, or MK-3652 or a pharmaceutically acceptable salt thereof, and the CHK1 inhibitor is MK-8776 or a pharmaceutically acceptable salt thereof, or SCH900444 or a pharmaceutically acceptable salt thereof.

  该瞬时发明提供了一种治疗癌症的方法，所述癌症包括乳腺癌、黑色素瘤、结直肠癌、非小细胞肺癌和卵巢癌，通过给予一种WEE1抑制剂和一种CHK1抑制剂的组合，其中WEE1抑制剂为MK-1775或其药用盐，或MK-3652或其药用盐，CHK1抑制剂为MK-8776或其药用盐，或SCH900444或其药用盐。
• [EN] MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS<br/>[FR] MODULATEURS DE POINTS DE CONTRÔLE DU CYCLE CELLULAIRE ET LEUR UTILISATION EN COMBINAISON AVEC DES INHIBITEURS DE KINASE DE POINT DE CONTRÔLE
  申请人：SCHERING CORP

  公开号：WO2011028638A1

  公开（公告）日：2011-03-10

  In its many embodiments, the present invention provides a novel class of pyrimidine analogs as targeted mechanism-based modulators of cell cycle checkpoints. Cancers and/or malignancies can be treated by administration of a cell cycle checkpoint modulator of the invention. Also discussed are suitable combinations of the cell cycle checkpoint modulator with a checkpoint kinase inhibitor to produce synergistic apoptosis in cancer cells. The invention also includes methods of treating cancers by administering the combination of the cell cycle checkpoint modulator and the checkpoint kinase inhibitor, pharmaceutical compositions comprising the cell cycle checkpoint modulator as well as combinations and pharmaceutical kits. An example cell cycle checkpoint modulator is shown below: formula (I).

  在其多种实施方式中，本发明提供了一种新型嘧啶类似物作为细胞周期检查点的靶向机制调节剂。通过给予该发明的细胞周期检查点调节剂，可以治疗癌症和/或恶性肿瘤。本发明还讨论了细胞周期检查点调节剂与检查点激酶抑制剂的合适组合，以产生对癌细胞的协同凋亡。本发明还包括通过给予细胞周期检查点调节剂和检查点激酶抑制剂的组合物来治疗癌症的方法，以及包含细胞周期检查点调节剂的制药组合物和组合物制药套件。下面是一个例子细胞周期检查点调节剂的公式（I）。
• HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS
  申请人：Reddy Panduranga Adulla P.

  公开号：US20100286135A1

  公开（公告）日：2010-11-11

  The present invention relates to novel heterocyclic amide compounds of Formula I: as disclosed herein or a pharmaceutically acceptable salt, solvate, ester, prodrug or stereoisomer thereof. Also disclosed are compositions comprising said compounds, and methods for using said compounds for treating or preventing a proliferative disease, an anti-proliferative disorder, inflammation, arthritis, a neurological or neurodegenerative disease, a cardiovascular disease, alopecia, a neuronal disease, an ischemic injury, a viral disease or a fungal disease.

  本发明涉及公式I的新异环酰胺化合物，如本文所述或其药学上可接受的盐、溶剂化物、酯、前药或立体异构体。还公开了包含该化合物的组合物，并且公开了使用该化合物治疗或预防增殖性疾病、抗增殖性障碍、炎症、关节炎、神经或神经退行性疾病、心血管疾病、脱发、神经元疾病、缺血性损伤、病毒性疾病或真菌病的方法。
• MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2473041B1

  公开（公告）日：2018-03-07
• COMBINATION OF MK-1775 AND MK-8776 FOR TREATING CANCER
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2755482B1

  公开（公告）日：2016-06-01