2-高吗啉甲酸甲酯 | 1141669-57-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧氮杂卓类
• 中文名称: 2-高吗啉甲酸甲酯
• 英文名称: Methyl 1,4-oxazepane-2-carboxylate
• CAS: 1141669-57-9
• 化学式: C₇H₁₃NO₃
• 分子量: 159.185
• InChiKey: NXIGDQYWERITIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[(2-methyl-4-quinolyl)methoxy]benzenesulfonyl chloride 、 2-高吗啉甲酸甲酯 在 三乙胺 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 、 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Identification of novel TACE inhibitors compatible with topical application

  摘要：

  Targeting the Tumor Necrosis Factor cc signalling with antibodies has led to a revolution in the treatment of psoriasis. Locally inhibiting Tumor Necrosis Factor alpha. Converting Enzyme (TACE or ADAM17) could potentially mimic those effects and help treat mild to moderate psoriasis, without the reported side effect of systemic TACE inhibitors. Efforts to identify new TACE inhibitors are presented here. Enzymatic SAR as well as ADME and physico-chemistry data are presented. This study culminated in the identification of potent enzymatic inhibitors. Suboptimal cellular activity of this series is discussed in the context of previously published results. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2017.02.035

文献信息

• Identification of novel TACE inhibitors compatible with topical application
  作者：Gilles Ouvry、Yaël Berton、Yushma Bhurruth-Alcor、Laetitia Bonnary、Claire Bouix-Peter、Karine Bouquet、Marilyne Bourotte、Sandrine Chambon、Catherine Comino、Benoît Deprez、Denis Duvert、Gwenaëlle Duvert、Feriel Hacini-Rachinel、Craig S. Harris、Anne-Pascale Luzy、Arnaud Mathieu、Corinne Millois、Jonathan Pascau、Artur Pinto、Gaëlle Polge、Arnaud Reitz、Kevin Reversé、Carine Rosignoli、Nathalie Taquet、Laurent F. Hennequin

  DOI：10.1016/j.bmcl.2017.02.035

  日期：2017.4

  Targeting the Tumor Necrosis Factor cc signalling with antibodies has led to a revolution in the treatment of psoriasis. Locally inhibiting Tumor Necrosis Factor alpha. Converting Enzyme (TACE or ADAM17) could potentially mimic those effects and help treat mild to moderate psoriasis, without the reported side effect of systemic TACE inhibitors. Efforts to identify new TACE inhibitors are presented here. Enzymatic SAR as well as ADME and physico-chemistry data are presented. This study culminated in the identification of potent enzymatic inhibitors. Suboptimal cellular activity of this series is discussed in the context of previously published results. (C) 2017 Elsevier Ltd. All rights reserved.