1-((4-Bromobenzyl)sulfonyl)-4-methylpiperazine | 950229-48-8

• 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: 1-((4-Bromobenzyl)sulfonyl)-4-methylpiperazine
• 英文别名: 1-[(4-bromophenyl)methylsulfonyl]-4-methylpiperazine
• CAS: 950229-48-8
• 化学式: C₁₂H₁₇BrN₂O₂S
• mdl: MFCD09871884
• 分子量: 333.249
• InChiKey: AORQFUSJAYVTMO-UHFFFAOYSA-N

物化性质

• 沸点：
  440.2±55.0 °C(Predicted)
• 密度：
  1.54±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[(4-methyl-1H-indol-5-yl)amino]-5-vinylnicotinonitrile 、 1-((4-Bromobenzyl)sulfonyl)-4-methylpiperazine 在 palladium diacetate 、 三乙胺 、 三对苯甲基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(4-methylpiperazin-1-yl)sulfonylmethyl]phenyl]ethenyl]pyridine-3-carbonitrile
  参考文献：
  名称：

  Synthesis and PKCθ inhibitory activity of a series of 5-vinyl phenyl sulfonamide-3-pyridinecarbonitriles

  摘要：

  A series of 5-vinyl phenyl sulfonamide-3-pyridinecarbonitriles were prepared and evaluated as PKC theta inhibitors. Optimization resulted in the identification of compound 15 with an IC(50) value 0.44 nM for the inhibition of PKC theta with 150-fold selectivity over PKC delta. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.031
• 作为产物：
  描述：

  N-甲基哌嗪 、 对溴苄磺酰氯 以 二氯甲烷 为溶剂， 生成 1-((4-Bromobenzyl)sulfonyl)-4-methylpiperazine
  参考文献：
  名称：

  Synthesis and PKCθ inhibitory activity of a series of 5-vinyl phenyl sulfonamide-3-pyridinecarbonitriles

  摘要：

  A series of 5-vinyl phenyl sulfonamide-3-pyridinecarbonitriles were prepared and evaluated as PKC theta inhibitors. Optimization resulted in the identification of compound 15 with an IC(50) value 0.44 nM for the inhibition of PKC theta with 150-fold selectivity over PKC delta. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.031

文献信息

• 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS
  申请人：Wyeth LLC

  公开号：EP2229377A1

  公开（公告）日：2010-09-22
• [EN] 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS<br/>[FR] 5-ALKYL/ALCÉNYL-3-CYANOPYRIDINES EN TANT QU'INHIBITEURS DE KINASE
  申请人：WYETH CORP

  公开号：WO2009076602A1

  公开（公告）日：2009-06-18

  Described herein are compounds of formula I: wherein G is and pharmaceutically acceptable salts thereof, wherein J, X, R1, R2, R11, R12' and p are as defined herein. Also provided herein are methods of making the compounds of formula I, and methods of using these compounds for inhibiting or treating a pathological condition or disorder linked to or mediated by a protein kinase in a mammal.
• Synthesis and PKCθ inhibitory activity of a series of 5-vinyl phenyl sulfonamide-3-pyridinecarbonitriles
  作者：Jaechul Shim、Clark Eid、Julie Lee、Erica Liu、Divya Chaudhary、Diane H. Boschelli

  DOI：10.1016/j.bmcl.2009.10.031

  日期：2009.12

  A series of 5-vinyl phenyl sulfonamide-3-pyridinecarbonitriles were prepared and evaluated as PKC theta inhibitors. Optimization resulted in the identification of compound 15 with an IC(50) value 0.44 nM for the inhibition of PKC theta with 150-fold selectivity over PKC delta. (C) 2009 Elsevier Ltd. All rights reserved.