tert-butyl 4-(2'-[(tert-butoxycarbonyl)(isopropyl)amino]-4-nitro-2,4'-bipyridin-6-yl)piperazine-1-carboxylate | 1201675-90-2

• 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: tert-butyl 4-(2'-[(tert-butoxycarbonyl)(isopropyl)amino]-4-nitro-2,4'-bipyridin-6-yl)piperazine-1-carboxylate
• 英文别名: Tert-butyl 4-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]pyridin-4-yl]-4-nitropyridin-2-yl]piperazine-1-carboxylate
• CAS: 1201675-90-2
• 化学式: C₂₇H₃₈N₆O₆
• 分子量: 542.635
• InChiKey: VWNMYMWHCHLBOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  134
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(2'-[(tert-butoxycarbonyl)(isopropyl)amino]-4-nitro-2,4'-bipyridin-6-yl)piperazine-1-carboxylate 在 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 生成 tert-butyl 4-(2'-[(tert-butoxycarbonyl)(isopropyl)amino]-4-hydroxy-2,4'-bipyridin-6-yl)piperazine-1-carboxylate
  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：

  二碳酸二叔丁酯 、 4-(2'-isopropylamino-4-nitro[2,4']bipyridinyl-6-yl)piperazine-1-carboxylic acid tert-butyl ester 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 4.5h， 生成 tert-butyl 4-(2'-[(tert-butoxycarbonyl)(isopropyl)amino]-4-nitro-2,4'-bipyridin-6-yl)piperazine-1-carboxylate
  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

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。
• 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。