N-(5-溴吡啶-3-基)-n-(苯基磺酰基)苯磺酰胺 | 1192749-74-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(5-溴吡啶-3-基)-n-(苯基磺酰基)苯磺酰胺
• 英文名称: N-(5-bromopyridin-3-yl)-N-(phenylsulfonyl)benzenesulfonamide
• 英文别名: N-(benzenesulfonyl)-N-(5-bromopyridin-3-yl)benzenesulfonamide
• CAS: 1192749-74-8
• 化学式: C₁₇H₁₃BrN₂O₄S₂
• 分子量: 453.337
• InChiKey: HIFQSGLCAZLODB-UHFFFAOYSA-N

物化性质

• 沸点：
  608.3±65.0 °C(Predicted)
• 密度：
  1.641±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  N-(5-溴吡啶-3-基)-n-(苯基磺酰基)苯磺酰胺 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 sodium hydroxide 、 水 、 potassium acetate 、 碳酸氢钠 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 93.5h， 生成 N-{5-[8-(4-hydroxy-1-piperidinyl)-1,5-naphthyridin-2-yl]-3-pyridinyl}benzenesulfonamide
  参考文献：
  名称：

  WO2008/150827

  摘要：

  公开号：
• 作为产物：
  描述：

  5-溴-3-氨基吡啶 、 苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以17%的产率得到N-(5-溴-3-吡啶)苯磺酰胺
  参考文献：
  名称：

  QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS

  摘要：

  发明了一种使用喹喔啉衍生物抑制PI3激酶活性/功能的方法。还发明了一种通过给予喹喔啉衍生物来治疗自身免疫性疾病、炎症性疾病、心血管疾病、神经退行性疾病、过敏、哮喘、胰腺炎、多器官功能衰竭、肾脏疾病、血小板聚集、癌症、精子活动力、移植排斥、移植物排斥和肺部损伤等一种或多种疾病状态的方法。

  公开号：

  US20080293706A1

文献信息

• QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS
  申请人：CHAUDHARI Amita

  公开号：US20080293706A1

  公开（公告）日：2008-11-27

  Invented is a method of inhibiting the activity/function of PI3 kinases using quinoxaline derivatives. Also invented is a method of treating one or more disease states selected from: autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, allergy, asthma, pancreatitis, multiorgan failure, kidney diseases, platelet aggregation, cancer, sperm motility, transplantation rejection, graft rejection and lung injuries by the administration of quinoxaline derivatives.

  发明了一种使用喹喔啉衍生物抑制PI3激酶活性/功能的方法。还发明了一种通过给予喹喔啉衍生物来治疗自身免疫性疾病、炎症性疾病、心血管疾病、神经退行性疾病、过敏、哮喘、胰腺炎、多器官功能衰竭、肾脏疾病、血小板聚集、癌症、精子活动力、移植排斥、移植物排斥和肺部损伤等一种或多种疾病状态的方法。
• Fluorescent phosphoinositide 3-kinase inhibitors suitable for monitoring of intracellular distribution
  作者：Donghee Kim、Hyunseung Lee、Hwiseok Jun、Soon-Sun Hong、Sungwoo Hong

  DOI：10.1016/j.bmc.2011.03.025

  日期：2011.4

  The monitoring of the drug behavior and distribution in biological system can provide information whether drug reaches its desired target, and a biological rationale for the design of new therapeutics. We have developed a family of potent fluorescent PI3K alpha inhibitors in which part of the fluorophore was engineered to be a pharmacophore capable of inhibiting PI3K alpha. These xanthine derivatives are characterized by a donor-acceptor molecular structure, and changes in the electronic properties of the two variation points at R-1 and R-2 give rise to notable bathochromic shifts in the lambda(em), (abs) and increase the value of Phi(F). Further, we illustrated the use of E2 (PI3K alpha/IC50 = 0.068 mu M, T47D cell viability: IC50 = 0.9 mu M) to block cancer cell proliferation and to monitor its subcellular localization by fluorescence microscopy. (C) 2011 Elsevier Ltd. All rights reserved.
• Development of New Fluorescent Xanthines as Kinase Inhibitors
  作者：Donghee Kim、Hwiseok Jun、Hyunseung Lee、Soon-Sun Hong、Sungwoo Hong

  DOI：10.1021/ol100011n

  日期：2010.3.19

  An efficient and versatile synthetic approach for the preparation of highly substituted xanthine derivatives has been developed by a combination of direct N7- and C8-arylation. With this method, diverse xanthine analogues were prepared and potent kinase inhibitors could be identified. For example, compound 8a Inhibits PI3Ks and proliferation in T47D tumor cells. In addition, these xanthine-based kinase inhibitors exhibited significant fluorescence emission in a concentration-dependent response.
• WO2008/150827
  申请人：——

  公开号：——

  公开（公告）日：——