2-chloro-9-cyclobutyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one | 1201693-60-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 嘧啶二氮卓类
• 英文名称: 2-chloro-9-cyclobutyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one
• 英文别名: 2-chloro-9-cyclobutyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one；2-chloro-9-cyclobutyl-7,7-difluoro-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
• CAS: 1201693-60-8
• 化学式: C₁₂H₁₃ClF₂N₄O
• 分子量: 302.711
• InChiKey: BZMYRRPCRANRFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  49.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-chloro-9-cyclobutyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one 在 盐酸 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.5h， 生成 4-((9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino)-N-(1-(3-(4-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)piperazin-1-yl)propanoyl)piperidin-4-yl)-3-methoxybenzamide
  参考文献：
  名称：

  [EN] NOVEL PLK1 DEGRADATION INDUCING COMPOUND
  [FR] NOUVEAU COMPOSÉ INDUISANT LA DÉGRADATION DE PLK1

  摘要：

  The present disclosure relates to a novel PLK1 degradation inducing compound, a method for preparing the same, and the use thereof. The compounds of the present disclosure exhibit an effect of inducing PLK1 degradation. Therefore, the compounds of the present disclosure may be effectively utilized for preventing or treating PLK1-related diseases.

  公开号：

  WO2023017446A1
• 作为产物：
  描述：

  N-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-N-benzylcyclobutanamine 在 盐酸 、 三甲基氯硅烷 、 10% palladium hydroxide on charcoal 、 氢气 、 铁粉 、 potassium carbonate 、 溶剂黄146 、 锌 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 80.0 ℃ 、103.42 kPa 条件下， 反应 40.5h， 生成 2-chloro-9-cyclobutyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one
  参考文献：
  名称：

  [EN] NOVEL PLK1 DEGRADATION INDUCING COMPOUND
  [FR] NOUVEAU COMPOSÉ INDUISANT LA DÉGRADATION DE PLK1

  摘要：

  The present disclosure relates to a novel PLK1 degradation inducing compound, a method for preparing the same, and the use thereof. The compounds of the present disclosure exhibit an effect of inducing PLK1 degradation. Therefore, the compounds of the present disclosure may be effectively utilized for preventing or treating PLK1-related diseases.

  公开号：

  WO2023017446A1

文献信息

• HALO-SUBSTITUTED PYRIMIDODIAZEPINES
  申请人：Cai Jianping

  公开号：US20090318408A1

  公开（公告）日：2009-12-24

  The present invention provides PLK1 inhibitor compounds of formula I: useful in the treatment or control of cell proliferative disorders, particularly oncological disorders. These compounds and formulations containing such compounds may be useful in the treatment or control of solid tumors, such as, for example, breast, colon, lung and prostate tumors and other oncological diseases such as non-Hodgkin's lymphomas. Also provided are intermediate compounds useful in the synthesis of compounds of formula I.

  本发明提供了公式I的PLK1抑制剂化合物： 用于治疗或控制细胞增殖性疾病，特别是肿瘤性疾病。这些化合物和含有这些化合物的配方可能在治疗或控制实体肿瘤方面有用，例如乳腺癌、结肠癌、肺癌和前列腺癌等固体肿瘤，以及非霍奇金淋巴瘤等其他肿瘤性疾病。还提供了在合成公式I化合物中有用的中间体化合物。
• Halo-substituted pyrimidodiazepines
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US08003785B2

  公开（公告）日：2011-08-23

  The present invention provides PLK1 inhibitor compounds of formula I: useful in the treatment or control of cell proliferative disorders, particularly oncological disorders. These compounds and formulations containing such compounds may be useful in the treatment or control of solid tumors, such as, for example, breast, colon, lung and prostate tumors and other oncological diseases such as non-Hodgkin's lymphomas. Also provided are intermediate compounds useful in the synthesis of compounds of formula I.

  本发明提供了公式I的PLK1抑制剂化合物：用于治疗或控制细胞增殖性疾病，特别是肿瘤性疾病。这些化合物和含有这些化合物的配方可能对实体瘤的治疗或控制有用，例如乳腺癌、结肠癌、肺癌和前列腺癌等肿瘤，以及非霍奇金淋巴瘤等其他肿瘤性疾病。还提供了用于合成公式I化合物的中间体化合物。
• Identification of novel, potent and selective inhibitors of Polo-like kinase 1
  作者：Shaoqing Chen、David Bartkovitz、Jianping Cai、Yi Chen、Zhi Chen、Xin-Jie Chu、Kang Le、Nam T. Le、Kin-Chun Luk、Steve Mischke、Goli Naderi-Oboodi、John F. Boylan、Tom Nevins、Weiguo Qing、Yingsi Chen、Peter M. Wovkulich

  DOI：10.1016/j.bmcl.2011.11.052

  日期：2012.1

  A series of pyrimidodiazepines was identified as potent Polo-like kinase 1 (PLK1) inhibitors. The synthesis and SAR are discussed. The lead compound 7 (RO3280) has potent inhibitory activity against PLK1, good selectivity against other kinases, and excellent in vitro cellular potency. It showed strong antitumor activity in xenograft mouse models. (C) 2011 Elsevier Ltd. All rights reserved.
• HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2303889A1

  公开（公告）日：2011-04-06
• US8003785B2
  申请人：——

  公开号：US8003785B2

  公开（公告）日：2011-08-23