2'-cyclohexylamino-6-((S)-3-methylpiperazin-1-yl)-[2,4']bipyridinyl-4-carboxylic acid methyl ester | 1201673-60-0

• 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'-cyclohexylamino-6-((S)-3-methylpiperazin-1-yl)-[2,4']bipyridinyl-4-carboxylic acid methyl ester
• 英文别名: methyl 2-[2-(cyclohexylamino)pyridin-4-yl]-6-[(3S)-3-methylpiperazin-1-yl]pyridine-4-carboxylate
• CAS: 1201673-60-0
• 化学式: C₂₃H₃₁N₅O₂
• 分子量: 409.531
• InChiKey: WMFCUCIASWJATE-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  79.4
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2'-cyclohexylamino-6-((S)-3-methylpiperazin-1-yl)-[2,4']bipyridinyl-4-carboxylic acid methyl ester 在 氨 作用下， 以 甲醇 为溶剂， 生成 2'-cyclohexylamino-6-((S)-3-methylpiperazin-1-yl)[2,4']bipyridinyl-4-carboxylic acid amide
  参考文献：
  名称：

  Identification of Potent and Selective Amidobipyridyl Inhibitors of Protein Kinase D

  摘要：

  The synthesis and biological evaluation of potent and selective PKD inhibitors are described herein. The compounds described in the present study selectively inhibit PKD among other putative HDAC kinases. The PKD inhibitors of the present study blunt phosphorylation and subsequent nuclear export of HDAC4/5 in response to diverse agonists. These compounds further establish the central role of PKD as an HDAC4/5 kinase and enhance the current understanding of cardiac myocyte signal transduction. The in vivo efficacy of a representative example compound on heart morphology is reported herein.

  DOI：

  10.1021/jm100076w
• 作为产物：
  描述：

  三氟乙酸 、 6-((S)-4-tert-butoxycarbonyl-3-methyl-piperazin-1-yl)-2'-cyclohexylamino-[2,4']bipyridinyl-4-carboxylic acid methyl ester 生成 2'-cyclohexylamino-6-((S)-3-methylpiperazin-1-yl)-[2,4']bipyridinyl-4-carboxylic acid methyl ester
  参考文献：
  名称：

  ORGANIC COMPOUNDS

  摘要：

  本发明提供了一种新型有机化合物I的方法，以及其使用方法和制药组合物。

  公开号：

  US20110092505A1

文献信息

• [EN] 2,4'-BIPYRIDINYL COMPOUNDS AS PROTEIN KINASE D INHIBITORS USEFUL FOR THE TREATMENT OF IA HEART FAILURE AND CANCER<br/>[FR] COMPOSÉS DE 2,4'-BIPYRIDINYLE COMME INHIBITEURS DE LA PROTÉINE KINASE D UTILES POUR LE TRAITEMENT DE L'INSUFFISANCE CARDIAQUE ET DU CANCER
  申请人：NOVARTIS AG

  公开号：WO2009150230A1

  公开（公告）日：2009-12-17

  The present invention provides novel organic compounds of Formula I: methods of use, and pharmaceutical compositions thereof.

  本发明提供了式I的新型有机化合物：其使用方法和药物组合物。
• 2,4'-BIPYRIDINYL COMPOUNDS AS PROTEIN KINASE D INHIBITORS USEFUL FOR THE TREATMENT OF IA HEART FAILURE AND CANCER
  申请人：Novartis AG

  公开号：EP2310381A1

  公开（公告）日：2011-04-20
• Identification of Potent and Selective Amidobipyridyl Inhibitors of Protein Kinase D
  作者：Erik L. Meredith、Kimberly Beattie、Robin Burgis、Michael Capparelli、Joseph Chapo、Lucian DiPietro、Gabriel Gamber、Istvan Enyedy、David B. Hood、Vinayak Hosagrahara、Charles Jewell、Keith A. Koch、Wendy Lee、Douglas D. Lemon、Timothy A. McKinsey、Karl Miranda、Nikos Pagratis、Dillon Phan、Craig Plato、Chang Rao、Olga Rozhitskaya、Nicolas Soldermann、Clayton Springer、Maurice van Eis、Richard B. Vega、Wanlin Yan、Qingming Zhu、Lauren G. Monovich

  DOI：10.1021/jm100076w

  日期：2010.8.12

  The synthesis and biological evaluation of potent and selective PKD inhibitors are described herein. The compounds described in the present study selectively inhibit PKD among other putative HDAC kinases. The PKD inhibitors of the present study blunt phosphorylation and subsequent nuclear export of HDAC4/5 in response to diverse agonists. These compounds further establish the central role of PKD as an HDAC4/5 kinase and enhance the current understanding of cardiac myocyte signal transduction. The in vivo efficacy of a representative example compound on heart morphology is reported herein.
• ORGANIC COMPOUNDS
  申请人：Burgis Robin

  公开号：US20110092505A1

  公开（公告）日：2011-04-21

  The present invention provides novel organic compounds of Formula I: methods of use, and pharmaceutical compositions thereof.

  本发明提供了一种新型有机化合物I的方法，以及其使用方法和制药组合物。