4-Biphenyl-4-yl-3,6-dihydro-2H-pyridine-1-sulfonyl chloride | 725739-57-1

• 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-Biphenyl-4-yl-3,6-dihydro-2H-pyridine-1-sulfonyl chloride
• CAS: 725739-57-1
• 化学式: C₁₇H₁₆ClNO₂S
• 分子量: 333.839
• InChiKey: LIYAGOLQLBOVBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.93
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 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-Biphenyl-4-yl-3,6-dihydro-2H-pyridine-1-sulfonyl chloride 在 草酰氯 、 水 作用下， 以 甲醇 为溶剂， 生成 (2R)-N-hydroxy-1-[[4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-2-carboxamide
  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：

  4-联苯硼酸 在 盐酸 、 氯磺酸 、 palladium diacetate 、 sodium hydroxide 、 五氯化磷 作用下， 反应 3.0h， 生成 4-Biphenyl-4-yl-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