Ethyl 3-[(4-fluorobenzoyl)amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate | 791782-46-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ethyl 3-[(4-fluorobenzoyl)amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate
• CAS: 791782-46-2
• 化学式: C₁₇H₁₉FN₄O₃
• 分子量: 346.361
• InChiKey: PPQFILZAXYGHPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  85.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Ethyl 3-[(4-fluorobenzoyl)amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate 在 potassium carbonate 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 乙二醇二甲醚 、 二氯甲烷 为溶剂， 生成 (S)-2-(dimethylamino)-1-phenylethyl-3-(4-fluorobenzamido)-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
  参考文献：
  名称：

  Discovery of Pyrroloaminopyrazoles as Novel PAK Inhibitors

  摘要：

  The P21-activated kinases (PAK) are emerging antitumor therapeutic targets. In this paper, we describe the discovery of potent PAK inhibitors guided by structure-based drug design. In addition, the efflux of the pyrrolopyrazole series was effectively reduced by applying multiple medicinal chemistry strategies, leading to a series of PAK inhibitors that are orally active in inhibiting tumor growth in vivo.

  DOI：

  10.1021/jm300204j

文献信息

• CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS
  申请人：Zhang Junhu

  公开号：US20090318440A1

  公开（公告）日：2009-12-24

  Carbonylamino Pyrrolopyrazole compounds of formula I, compositions including these compounds and methods of their use are provided. Preferred compounds of formula I have activity as protein kinase inhibitors, including as inhibitors of PAK4.

  提供了化学式I的羰基氨基吡咯吡唑化合物，包括这些化合物的组合物以及它们的使用方法。化学式I的优选化合物具有作为蛋白激酶抑制剂的活性，包括作为PAK4的抑制剂。
• SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS
  申请人：Pharmacia Italia S.p.A.

  公开号：EP1575954A2

  公开（公告）日：2005-09-21
• US7884117B2
  申请人：——

  公开号：US7884117B2

  公开（公告）日：2011-02-08
• [EN] SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DERIVES DE PYRROLO-PYRAZOLES SUBSTITUES CONSTITUANT DES INHIBITEURS DE KINASES
  申请人：PHARMACIA ITALIA SPA

  公开号：WO2004056827A2

  公开（公告）日：2004-07-08

  Compounds represented by formula (Ia) or (lb) and wherein R and R1 are as defined in the description, and pharmaceutically acceptable salts thereof, are disclosed; the said compounds are useful in the treatment of cell cycle proliferative disorders, e.g. cancer, associated with an altered cell cycle dependent kinase activity.
• [EN] CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS<br/>[FR] CARBONYLAMINOPYRROLOPYRAZOLES, INHIBITEURS PUISSANTS DE KINASE
  申请人：PFIZER PROD INC

  公开号：WO2007072153A2

  公开（公告）日：2007-06-28

  (EN) Carbonylamino Pyrrolopyrazole compounds of formula (I), compositions including these compounds and methods of their use are provided. Preferred compounds of formula (I) have activity as protein kinase inhibitors, including as inhibitors of PAK4.(FR) La présente invention concerne des composés de carbonylamino-pyrrolopyrazole de formule I, des compositions comprenant ces composés et des procédés pour leur utilisation. Les composés de formule I préférés ont une activité en tant qu'inhibiteurs de protéine kinase, y compris en tant qu'inhibiteurs de PAK4.