2-tert-Butyl-6-chloro-benzooxazole-7-sulfonic acid amide | 761448-08-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2-tert-Butyl-6-chloro-benzooxazole-7-sulfonic acid amide
• 英文别名: 2-(tert-Butyl)-6-chlorobenzo[d]oxazole-7-sulfonamide；2-tert-butyl-6-chloro-1,3-benzoxazole-7-sulfonamide
• CAS: 761448-08-2
• 化学式: C₁₁H₁₃ClN₂O₃S
• 分子量: 288.755
• InChiKey: MOVZOKRHLQULLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  94.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-tert-Butyl-6-chloro-benzooxazole-7-sulfonic acid amide 在 硫酸 作用下， 以75%的产率得到3-氨基-6-氯-2-羟基苯磺酰胺
  参考文献：
  名称：

  Discovery of potent and orally bioavailable N,N′-diarylurea antagonists for the CXCR2 chemokine receptor

  摘要：

  A series of 3-substituted N,N'-diarylureas was prepared and the structure-activity relationship relative to CXCR2 receptor affinity as well as their pharmacokinetic properties were examined. In vitro microsomal metabolism studies indicated that the lower clearance rates of the 3-sulfonamido-substituted compounds were most likely due to the suppression of glucuronidation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.097
• 作为产物：
  描述：

  2-叔丁基-6-氯苯并噁唑-7-磺酰氯 在 ammonium hydroxide 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以78%的产率得到2-tert-Butyl-6-chloro-benzooxazole-7-sulfonic acid amide
  参考文献：
  名称：

  Discovery of potent and orally bioavailable N,N′-diarylurea antagonists for the CXCR2 chemokine receptor

  摘要：

  A series of 3-substituted N,N'-diarylureas was prepared and the structure-activity relationship relative to CXCR2 receptor affinity as well as their pharmacokinetic properties were examined. In vitro microsomal metabolism studies indicated that the lower clearance rates of the 3-sulfonamido-substituted compounds were most likely due to the suppression of glucuronidation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.097

文献信息

• Il-8 receptor antagonists
  申请人：——

  公开号：US20030055286A1

  公开（公告）日：2003-03-20

  1 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).

  这项发明涉及到式(I)至(VII)的新化合物及其组合物，用于治疗由趋化因子白细胞介素-8（IL-8）介导的疾病状态。
• EP1261336A4
  申请人：——

  公开号：EP1261336A4

  公开（公告）日：2004-12-15
• IL-8 RECEPTOR ANTAGONISTS
  申请人：SmithKline Beecham Corporation

  公开号：EP1261336A2

  公开（公告）日：2002-12-04
• US6608077B2
  申请人：——

  公开号：US6608077B2

  公开（公告）日：2003-08-19
• [EN] IL-8 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR DE IL-8
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2001068568A2

  公开（公告）日：2001-09-20

  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).