3-(1H-indol-3-yl)-4-[3-(4-methylpiperazin-1-yl)isoquinolin-1-yl]pyrrole-2,5-dione | 425638-48-8

• 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: 3-(1H-indol-3-yl)-4-[3-(4-methylpiperazin-1-yl)isoquinolin-1-yl]pyrrole-2,5-dione
• CAS: 425638-48-8
• 化学式: C₂₆H₂₃N₅O₂
• 分子量: 437.501
• InChiKey: KMFOKKGKNMQAAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  81.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,3-二氯异喹啉 在 potassium tert-butylate 、 氨 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 5,5-dimethyl-1,3-cyclohexadiene 、 mineral oil 为溶剂， 反应 38.5h， 生成 3-(1H-indol-3-yl)-4-[3-(4-methylpiperazin-1-yl)isoquinolin-1-yl]pyrrole-2,5-dione
  参考文献：
  名称：

  Structure–Activity Relationship and Pharmacokinetic Studies of Sotrastaurin (AEB071), a Promising Novel Medicine for Prevention of Graft Rejection and Treatment of Psoriasis

  摘要：

  Protein kinase C (PKC) isotypes have emerged as key targets for the blockade of early T-cell activation. Herein, we report on the structure - activity relationship and the detailed physicochemical and in vivo pharmacokinetic properties of sotrastaurin (AEB071, 1), a novel maleimide-based PKC inhibitor currently in phase II clinical trials. Most notably, the preferred uptake of sotrastaurin into lymphoid tissues is an important feature, which is likely to contribute to its in vivo efficacy.

  DOI：

  10.1021/jm200469u

文献信息

• Indolylmaleimide Derivatives
  申请人：Albert Rainer

  公开号：US20090318463A1

  公开（公告）日：2009-12-24

  Indolylmaleimide derivatives comprising either a substituted phenyl, naphthyl, tetrahydronaphthyl, quinazolinyl, quinolyl, isoquinolyl or pyrimidinyl residue have interesting pharmaceutical properties, e.g. in the treatment and/or prevention of T-cell mediated acute or chronic inflammatory diseases or disorders, autoimmune diseases, graft rejection or cancer.

  含有取代苯基、萘基、四氢萘基、喹唑啉基、喹啉基、异喹啉基或嘧啶基残基的吲哚基马来酰亚胺衍生物具有有趣的药理学性质，例如在治疗和/或预防T细胞介导的急性或慢性炎症性疾病或障碍、自身免疫性疾病、移植排斥或癌症方面。
• Indolylmaleimide derivatives
  申请人：Albert Rainer

  公开号：US20070184061A1

  公开（公告）日：2007-08-09

  Indolylmaleimide derivatives comprising either a substituted phenyl, naphthyl, tetrahydronaphthyl, quinazolinyl, quinolyl, isoquinolyl or pyrimidinyl residue have interesting pharmaceutical properties, e.g. in the treatment and/or prevention of T-cell mediated acute or chronic inflammatory diseases or disorders, autoimmune diseases, graft rejection or cancer.

  含有取代苯基、萘基、四氢萘基、喹嗪基、喹啉基、异喹啉基或嘧啶基残基的吲哚基马来酰亚胺衍生物具有有趣的药理学特性，例如在T细胞介导的急性或慢性炎症性疾病或疾病、自身免疫性疾病、移植排斥或癌症的治疗和/或预防中。
• INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE C INHIBITORS
  申请人：Novartis AG

  公开号：EP1337527B1

  公开（公告）日：2009-10-14
• US7220774B2
  申请人：——

  公开号：US7220774B2

  公开（公告）日：2007-05-22
• US7786123B2
  申请人：——

  公开号：US7786123B2

  公开（公告）日：2010-08-31