12,13-Dihydro-4,8-difluoro-5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione | 245106-24-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 12,13-Dihydro-4,8-difluoro-5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
• 英文别名: 8,18-difluoro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
• CAS: 245106-24-5
• 化学式: C₂₀H₉F₂N₃O₂
• 分子量: 361.307
• InChiKey: UCDMJWFKNYERGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,3-bis-(4-fluoro-1H-indol-3-yl)-maleic anhydride 在 乙酸铵 、 碘 作用下， 以 异丙醇 为溶剂， 反应 48.0h， 生成 12,13-Dihydro-4,8-difluoro-5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
  参考文献：
  名称：

  Indolocarbazoles: potent, selective inhibitors of human cytomegalovirus replication

  摘要：

  In our search for new, safer anti-HCMV agents, we discovered that the natural product Arcyriaflavin A (la) was a potent inhibitor of HCMV replication in cell culture. A series of analogues (symmetrical indolocarbazoles) was synthesised to investigate structure-activity relationships in this series against a range of herpes viruses (HCMV, VZV, HSV1, and 2). This identified a number of novel, selective and potent inhibitors of HCMV, 12,13-dihydro-2,10-difluoro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-(6H)-dione (Id) being the best example (IC50 = 40 nM, therapeutic index > 1450). Compounds described in this series were generally poor inhibitors of protein kinase C beta II, and no correlation was found between the ability to inhibit HCMV and the enzyme PKC. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00032-2

文献信息

• PIM kinase inhibitor compositions, methods, and uses thereof
  申请人：Snap Bio, Inc.

  公开号：US11319320B2

  公开（公告）日：2022-05-03

  This application relates to compounds of formulae (I) and (II) and compositions thereof useful as inhibitors of PIM kinases. Also provided are methods of synthesis and methods of use of PIM inhibitors in treating individuals suffering from cancerous malignancies.

  本申请涉及作为 PIM 激酶抑制剂的式 (I) 和 (II) 化合物及其组合物。还提供了 PIM 抑制剂的合成方法和用于治疗癌症恶性肿瘤患者的方法。
• PIM KINASE INHIBITOR COMPOSITIONS, METHODS, AND USES THEREOF
  申请人：Snap Bio, Inc.

  公开号：US20200331914A1

  公开（公告）日：2020-10-22

  This application relates to compounds of formulae (I) and (II) and compositions thereof useful as inhibitors of PIM kinases. Also provided are methods of synthesis and methods of use of PIM inhibitors in treating individuals suffering from cancerous malignancies.