4-Bromo-N,N-diisopropyl-benzenesulfonamide

• 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: 4-Bromo-N,N-diisopropyl-benzenesulfonamide
• 英文别名: 4-bromo-N,N-bis(propan-2-yl)benzene-1-sulfonamide；4-bromo-N,N-di(propan-2-yl)benzenesulfonamide
• 化学式: C₁₂H₁₈BrNO₂S
• 分子量: 320.25
• InChiKey: YWFUIYHKRDBOEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[(4-methyl-1H-indol-5-yl)amino]-5-vinylnicotinonitrile 、 4-Bromo-N,N-diisopropyl-benzenesulfonamide 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-[2-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]pyridin-3-yl]ethenyl]-N,N-di(propan-2-yl)benzenesulfonamide
  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：

  二异丙胺 、 4-溴苯磺酰氯 以 二氯甲烷 为溶剂， 生成 4-Bromo-N,N-diisopropyl-benzenesulfonamide
  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

• Preparation of allyl-, alkenyl- and of functionalized arylmanganese reagents by oxidative insertion of manganese-graphite into organic halides
  作者：Alois Fürstner、Heiko Brunner

  DOI：10.1016/0040-4039(96)01591-2

  日期：1996.9

  THF affords highly active Mn-graphite, which readily inserts into allyl-, alkenyl-, (substituted) aryl- and heteroaryl halides. The functionalized organomanganese compounds thus obtained may be efficiently trapped with different electrophiles such as aldehydes, anhydrides and acid chlorides, or can be cross-coupled with alkenyl halides in the presence of catalytic amounts of Fe(acac)3.

  在THF中用2 C 8 K还原MnBr 2 · n LiBr（n = 1,2），得到高活性的Mn-石墨，它容易插入烯丙基-，烯基-，（取代的）芳基-和杂芳基卤化物中。如此获得的官能化的有机锰化合物可以有效地被不同的亲电子试剂（例如醛，酸酐和酰氯）捕获，或者可以在催化量的Fe（acac）3存在下与链烯基卤化物交联。
• Spirocyclic Heterocyclic Derivatives And Methods Of Their Use
  申请人：Dolle E. Roland

  公开号：US20080102031A1

  公开（公告）日：2008-05-01

  Spirocyclic heterocyclic derivatives, pharmaceutical compositions containing these compounds, and methods for their pharmaceutical use are disclosed. In certain embodiments, the spirocyclic heterocyclic derivatives are ligands of the δ opioid receptor and may be useful, inter alia, for treating and/or preventing pain, anxiety, gastrointestinal disorders, and other δ opioid receptor-mediated conditions.

  本发明公开了螺环异杂环衍生物、含有这些化合物的制药组合物以及它们的制药用途方法。在某些实施例中，螺环异杂环衍生物是δ阿片受体的配体，可能有助于治疗和/或预防疼痛、焦虑、胃肠疾病和其他δ阿片受体介导的疾病等。
• SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE
  申请人：Dolle Roland E.

  公开号：US20100029614A1

  公开（公告）日：2010-02-04

  Spirocyclic heterocyclic derivatives, pharmaceutical compositions containing these compounds, and methods for their pharmaceutical use are disclosed. In certain embodiments, the spirocyclic heterocyclic derivatives are ligands of the δ opioid receptor and may be useful, inter alia, for treating and/or preventing pain, anxiety, gastrointestinal disorders, and other δ opioid receptor-mediated conditions.

  本发明公开了螺环杂环衍生物、含有这些化合物的制药组合物以及它们的制药用途的方法。在某些实施例中，螺环杂环衍生物是δ阿片受体的配体，并且可能有用于治疗和/或预防疼痛、焦虑、胃肠障碍和其他δ阿片受体介导的疾病等方面。
• METHODS FOR ENHANCING COGNITIVE FUNCTION
  申请人：Dolle E. Roland

  公开号：US20080119452A1

  公开（公告）日：2008-05-22

  Methods for enhancing cognitive function are disclosed. More particularly, methods are disclosed for enhancing cognitive function comprising the step of administering spirocyclic heterocyclic derivatives (including derivatives of spiro(2H-1-benzopyran-2,4′-piperidines) of the general formula IV:

  本发明揭示了增强认知功能的方法。更具体地，本发明揭示了一种增强认知功能的方法，其中包括给予螺环杂环衍生物（包括公式IV的螺(2H-1-苯并吡喃-2,4'-哌啶)衍生物）的步骤。
• 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