3-[(2-chlorophenyl)amino]-4H-1,2,4-benzothiadiazin-5-ol 1,1-dioxide | 820214-17-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻二嗪
• 英文名称: 3-[(2-chlorophenyl)amino]-4H-1,2,4-benzothiadiazin-5-ol 1,1-dioxide
• 英文别名: 3-(2-chloroanilino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol
• CAS: 820214-17-3
• 化学式: C₁₃H₁₀ClN₃O₃S
• 分子量: 323.76
• InChiKey: OPHVRMBDDUQBHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  99.2
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-methoxy-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide 在 吡啶 、 lithium chloride 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 生成 3-[(2-chlorophenyl)amino]-4H-1,2,4-benzothiadiazin-5-ol 1,1-dioxide
  参考文献：
  名称：

  3-Arylamino-2H-1,2,4-benzothiadiazin-5-ol 1,1-dioxides as novel and selective CXCR2 antagonists

  摘要：

  A series of 3-arylamino-2H-1,2,4-benzothiadiazin-5-oI 1,1-dioxides were prepared and shown to be novel and selective antagonists of the CXCR2 receptor. Synthesis, structure and activity relationships, selectivity, and some developability properties are described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.011

文献信息

• Il-8 receptor antagonists
  申请人：Busch-Petersen Jakob

  公开号：US20060122173A1

  公开（公告）日：2006-06-08

  This invention relates to novel compounds of Formula (I) to (VII), and compositions thereof, useful in the treatment of disease states mediated by the chemokine, Interleukin-8 (IL-8).

  本发明涉及公式(I)到(VII)的新化合物及其组合物，用于治疗由趋化因子白介素8（IL-8）介导的疾病状态。
• 3-Arylamino-2H-1,2,4-benzothiadiazin-5-ol 1,1-dioxides as novel and selective CXCR2 antagonists
  作者：Yonghui Wang、Jakob Busch-Petersen、Feng Wang、Lanping Ma、Wei Fu、Jeffrey K. Kerns、Jian Jin、Michael R. Palovich、Jing-Kang Shen、Miriam Burman、James J. Foley、Dulcie B. Schmidt、Gerald E. Hunsberger、Henry M. Sarau、Katherine L. Widdowson

  DOI：10.1016/j.bmcl.2007.05.011

  日期：2007.7

  A series of 3-arylamino-2H-1,2,4-benzothiadiazin-5-oI 1,1-dioxides were prepared and shown to be novel and selective antagonists of the CXCR2 receptor. Synthesis, structure and activity relationships, selectivity, and some developability properties are described. (C) 2007 Elsevier Ltd. All rights reserved.