4-[Benzyl-(4-methoxyphenyl)sulfonylamino]-8-propan-2-ylquinoline-3-carboxylic acid | 206258-83-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-[Benzyl-(4-methoxyphenyl)sulfonylamino]-8-propan-2-ylquinoline-3-carboxylic acid
• CAS: 206258-83-5
• 化学式: C₂₇H₂₆N₂O₅S
• 分子量: 490.58
• InChiKey: ILKJXFSBOYEPAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-[Benzyl-(4-methoxyphenyl)sulfonylamino]-8-propan-2-ylquinoline-3-carboxylic acid 在 光气 作用下， 生成
  参考文献：
  名称：

  Synthesis and SAR of bicyclic heteroaryl hydroxamic acid MMP and TACE inhibitors

  摘要：

  Potent and selective bicyclic heteroaryl hydroxamic acid MMP and TACE inhibitors were synthesized by a novel convergent route. Selectivity and efficacy versus MMPs and TACE could be controlled by appropriate substitution on the scaffolds and by variation of the P1' group. Select compounds were found to be effective in in vivo models of arthritis. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00127-6
• 作为产物：
  描述：

  2-异丙基苯胺 在 sodium hydroxide 、 sodium hydride 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-[Benzyl-(4-methoxyphenyl)sulfonylamino]-8-propan-2-ylquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and SAR of bicyclic heteroaryl hydroxamic acid MMP and TACE inhibitors

  摘要：

  Potent and selective bicyclic heteroaryl hydroxamic acid MMP and TACE inhibitors were synthesized by a novel convergent route. Selectivity and efficacy versus MMPs and TACE could be controlled by appropriate substitution on the scaffolds and by variation of the P1' group. Select compounds were found to be effective in in vivo models of arthritis. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00127-6

文献信息

• Synthesis and SAR of bicyclic heteroaryl hydroxamic acid MMP and TACE inhibitors
  作者：A. Zask、Y. Gu、J.D. Albright、X. Du、M. Hogan、J.I. Levin、J.M. Chen、L.M. Killar、A. Sung、J.F. DiJoseph、M.A. Sharr、C.E. Roth、S. Skala、G. Jin、R. Cowling、K.M. Mohler、D. Barone、R. Black、C. March、J.S. Skotnicki

  DOI：10.1016/s0960-894x(03)00127-6

  日期：2003.4

  Potent and selective bicyclic heteroaryl hydroxamic acid MMP and TACE inhibitors were synthesized by a novel convergent route. Selectivity and efficacy versus MMPs and TACE could be controlled by appropriate substitution on the scaffolds and by variation of the P1' group. Select compounds were found to be effective in in vivo models of arthritis. (C) 2003 Elsevier Science Ltd. All rights reserved.