4-(4-Bromo-phenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride | 725739-52-6

• 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: 4-(4-Bromo-phenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride
• CAS: 725739-52-6
• 化学式: C₁₁H₁₁BrClNO₂S
• 分子量: 336.637
• InChiKey: XENSUSVHLOFNAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.02
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  37.38
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-(4-Bromo-phenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride 在 草酰氯 作用下， 生成
  参考文献：
  名称：

  Design and synthesis of orally active inhibitors of TNF synthesis as anti-rheumatoid arthritis drugs

  摘要：

  A novel series of TNF inhibitors was identified based on the screening of existing MMP inhibitor libraries. Further SAR optimization led to the discovery of a novel lead compound. Its synthesis, efficacy in experimental animal models, and pharmacokinetic data are discussed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.076
• 作为产物：
  描述：

  3,6-二氢-4-[[(三氟甲基)磺酰]氧基]-1(2H)-吡啶甲酸叔丁酯 在 盐酸 、 氯磺酸 、 palladium diacetate 、 sodium hydroxide 、 五氯化磷 作用下， 反应 3.0h， 生成 4-(4-Bromo-phenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride
  参考文献：
  名称：

  Design and synthesis of orally active inhibitors of TNF synthesis as anti-rheumatoid arthritis drugs

  摘要：

  A novel series of TNF inhibitors was identified based on the screening of existing MMP inhibitor libraries. Further SAR optimization led to the discovery of a novel lead compound. Its synthesis, efficacy in experimental animal models, and pharmacokinetic data are discussed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.076