2-溴-3-羟基-4-硝基-苯甲腈 | 203201-43-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-溴-3-羟基-4-硝基-苯甲腈
• 英文名称: 2-bromo-3-cyano-6-nitrophenol
• 英文别名: 2-Bromo-3-hydroxy-4-nitrobenzonitrile
• CAS: 203201-43-8
• 化学式: C₇H₃BrN₂O₃
• 分子量: 243.016
• InChiKey: GNXIUETVKJPRHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  89.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  2-溴-3-羟基-4-硝基-苯甲腈 在 乙醇 、 tin(ll) chloride 作用下， 反应 16.0h， 以85%的产率得到4-氨基-2-溴-3-二羟基苯肼
  参考文献：
  名称：

  Evaluation of Potent and Selective Small-Molecule Antagonists for the CXCR2 Chemokine Receptor

  摘要：

  N,N'-Diarylureas were prepared, and the structure-activity relationship relative to the CXCR2 receptor was examined. This led to the identification of a potent and highly selective CXCR2 antagonist, which in addition was shown to be functionally active both in vitro against human neutrophils and in vivo in rabbit models of ear edema and neutropenia.

  DOI：

  10.1021/jm034248l
• 作为产物：
  描述：

  3-氰基苯酚 在 sodium nitrate 、 hydrogene tribromide 、 乌洛托品 、 硫酸 、 sodium nitrite 作用下， 以 二氯甲烷 为溶剂， 反应 88.0h， 生成 2-溴-3-羟基-4-硝基-苯甲腈
  参考文献：
  名称：

  Evaluation of Potent and Selective Small-Molecule Antagonists for the CXCR2 Chemokine Receptor

  摘要：

  N,N'-Diarylureas were prepared, and the structure-activity relationship relative to the CXCR2 receptor was examined. This led to the identification of a potent and highly selective CXCR2 antagonist, which in addition was shown to be functionally active both in vitro against human neutrophils and in vivo in rabbit models of ear edema and neutropenia.

  DOI：

  10.1021/jm034248l

文献信息

• IL-8 RECEPTOR ANTAGONISTS
  申请人：SmithKline Beecham Corporation

  公开号：EP1191934A1

  公开（公告）日：2002-04-03
• EP1191934A4
  申请人：——

  公开号：EP1191934A4

  公开（公告）日：2004-02-04
• US6204294B1
  申请人：——

  公开号：US6204294B1

  公开（公告）日：2001-03-20
• [EN] IL-8 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RECEPTEURS DE IL-8
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2000076516A1

  公开（公告）日：2000-12-21

  This invention relates to novel compounds of Formula (I), pharmaceutical compositions and their use in the treatment of disease states mediated by the chemokine, Interleukin-8 (IL-8).
• Evaluation of Potent and Selective Small-Molecule Antagonists for the CXCR2 Chemokine Receptor
  作者：Katherine L. Widdowson、John D. Elliott、Daniel F. Veber、Hong Nie、Melvin C. Rutledge、Brent W. McCleland、Jia-Ning Xiang、Anthony J. Jurewicz、Robert P. Hertzberg、James J. Foley、Don E. Griswold、Lenox Martin、Judithann M. Lee、John R. White、Henry M. Sarau

  DOI：10.1021/jm034248l

  日期：2004.3.1

  N,N'-Diarylureas were prepared, and the structure-activity relationship relative to the CXCR2 receptor was examined. This led to the identification of a potent and highly selective CXCR2 antagonist, which in addition was shown to be functionally active both in vitro against human neutrophils and in vivo in rabbit models of ear edema and neutropenia.