3,4-dibromobenzenesulfonamide | 477843-34-8

• 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: 3,4-dibromobenzenesulfonamide
• 英文别名: 3,4-dibromo-benzenesulfonic acid amide；3,4-Dibrom-benzolsulfonsaeure-amid；3.4-Dibrom-benzolsulfonamid-(1)
• CAS: 477843-34-8
• 化学式: C₆H₅Br₂NO₂S
• 分子量: 314.985
• InChiKey: BVFBZKIXIQRRTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,4-二氯苯甲酸 、 3,4-dibromobenzenesulfonamide 在 4-二甲氨基吡啶 、 1-(3-dimethylaminopropyl)-3-ethylenecarbodiimide*HCl 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以34%的产率得到2,4-dichloro-N-(3,4-dibromophenyl)sulfonylbenzamide
  参考文献：
  名称：

  Acyl Sulfonamide Anti-Proliferatives:  Benzene Substituent Structure−Activity Relationships for a Novel Class of Antitumor Agents

  摘要：

  Two closely related diaryl acylsulfonamides were recently reported as potent antitumor agents against a broad spectrum of human tumor xenografts (colon, lung, breast, ovary, and prostate) in nude mice. Especially intriguing was their activity against colorectal cancer xenografts. In this paper, rapid parallel synthesis along with traditional medicinal chemistry techniques were used to quickly delineate the structure-activity relationships of the substitution patterns in both phenyl rings of the acylsufonamide anti-proliferative scaffold. Although the molecular target of the compounds remains unclear, we determined that the vascular endothelial growth factor-dependent human umbilical vein endothelial cells assay in combination with a soft agar disk diffusion assay allowed for optimization of potency in the series. The pharmacokinetic properties and in vivo activity in an HCT116 xenograft model are reported for representative compounds.

  DOI：

  10.1021/jm030594r
• 作为产物：
  描述：

  1,2-二溴苯 在 chlorosulphuric acid 、 氯仿 作用下， 生成 3,4-dibromobenzenesulfonamide
  参考文献：
  名称：

  Identification of Organic Compounds. I. Chlorosulfonic Acid as a Reagent for the Identification of Aryl Halides

  摘要：

  DOI：

  10.1021/ja01860a014

文献信息

• Benzoylsulfonamides and sulfonylbenzamidines for use as antitumour agents
  申请人：——

  公开号：US20040157741A1

  公开（公告）日：2004-08-12

  The present invention provides antitumor compounds of the formula (I), and antitumor methods. 1

  本发明提供了式(I)的抗肿瘤化合物和抗肿瘤方法。
• Mch receptor antagonists
  申请人：Sekiguchi Yoshinori

  公开号：US20070037836A1

  公开（公告）日：2007-02-15

  The present invention relates to novel compounds of the formula (I) which act as MCH receptor antagonists. These compositions are useful in pharmaceutical compositions whose use includes prophylaxis or treatment of obesity, obesity related disorders, anxiety, or depression.

  本发明涉及具有式(I)的新型化合物，其作为MCH受体拮抗剂。这些组合物在药物组合物中有用，其使用包括预防或治疗肥胖症、与肥胖相关的疾病、焦虑或抑郁症。
• Langfurth, Justus Liebigs Annalen der Chemie, 1878, vol. 191, p. 193
  作者：Langfurth

  DOI：——

  日期：——
• Limpricht, Justus Liebigs Annalen der Chemie, 1877, vol. 186, p. 135
  作者：Limpricht

  DOI：——

  日期：——
• BENZOYLSULFONAMIDES AND SULFONYLBENZAMIDINES FOR USE AS ANTITUMOUR AGENTS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1401806B1

  公开（公告）日：2006-08-09