N-(2-hydroxyethyl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide | 1014611-20-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(2-hydroxyethyl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
• CAS: 1014611-20-1
• 化学式: C₁₇H₁₉N₃O₃S
• 分子量: 345.422
• InChiKey: FKJNWJPAAVSRNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  94.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-溴-2-甲基-1H-吡咯并[2,3-B]吡啶 、 N-(2-hydroxyethyl)-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide 在 potassium phosphate 、 2’-(dimethylamino)-2-biphenylyl-palladium(II)chloride dinorbornylphosphine complex 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 0.5h， 生成 N-(2-hydroxyethyl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
  参考文献：
  名称：

  4-Phenyl-7-azaindoles as potent and selective IKK2 inhibitors

  摘要：

  The synthesis and SAR of a novel series of IKK2 inhibitors are described. Modi. cation around the hinge binding region of the 7-azaindole led to a series of potent and selective inhibitors with good cellular activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.034

文献信息

• NOVEL COMPOUNDS
  申请人：Bamborough Paul

  公开号：US20080176891A1

  公开（公告）日：2008-07-24

  The invention is directed to certain novel compounds. Specifically, the invention is directed to compounds according to formula (I): and salts thereof. The compounds of the invention are inhibitors of kinase activity, in particular IKK2 activity.

  本发明涉及某些新型化合物。具体而言，本发明涉及公式（I）所示的化合物及其盐。本发明的化合物是激酶活性抑制剂，特别是IKK2活性的抑制剂。
• PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS
  申请人：Bamborough Paul

  公开号：US20100035917A1

  公开（公告）日：2010-02-11

  The invention is directed to certain novel compounds. Specifically, the invention is directed to compounds according to Formula (1) and salts thereof. The compounds of the invention are inhibitors of kinase activity, in particular 1KK2 activity.

  本发明涉及某些新颖化合物。具体而言，本发明涉及按照式（1）及其盐的化合物。本发明的化合物是激酶活性抑制剂，特别是1KK2活性抑制剂。
• PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS
  申请人：Glaxo Group Limited

  公开号：EP2069341B1

  公开（公告）日：2010-12-29
• [EN] PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS<br/>[FR] COMPOSÉS DE PYRROLO [2, 3-B] PYRIDIN-4-YL-BENZÈNESULFONAMIDE UTILES COMME INHIBITEURS DE IKK2
  申请人：GLAXO GROUP LTD

  公开号：WO2008034860A1

  公开（公告）日：2008-03-27

  [EN] The invention is directed to certain novel compounds. Specifically, the invention is directed to compounds according to formula (I) and salts thereof. The compounds of the invention are inhibitors of kinase activity, in particular IKK2 activity.
  [FR] L'invention concerne de nouveaux composés, de façon spécifique, des composés représentés par la formule (I) et leurs sels. Les composés de l'invention sont des inhibiteurs de l'activité kinase, en particulier de l'activité IKK2.
• 4-Phenyl-7-azaindoles as potent and selective IKK2 inhibitors
  作者：John Liddle、Paul Bamborough、Michael D. Barker、Sebastien Campos、Rick P.C. Cousins、Geoffrey J. Cutler、Heather Hobbs、Duncan S. Holmes、Chris Ioannou、Geoff W. Mellor、Mary A. Morse、Jeremy J. Payne、John M. Pritchard、Kathryn J. Smith、Daniel T. Tape、Caroline Whitworth、Richard A. Williamson

  DOI：10.1016/j.bmcl.2009.03.034

  日期：2009.5

  The synthesis and SAR of a novel series of IKK2 inhibitors are described. Modi. cation around the hinge binding region of the 7-azaindole led to a series of potent and selective inhibitors with good cellular activity. (C) 2009 Elsevier Ltd. All rights reserved.