N-(2-(1-(7-methoxyquinazolin-4-yl)piperidin-4-yl)ethyl)sulfamide | 1174169-88-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-(2-(1-(7-methoxyquinazolin-4-yl)piperidin-4-yl)ethyl)sulfamide
• 英文别名: 7-Methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline
• CAS: 1174169-88-0
• 化学式: C₁₆H₂₃N₅O₃S
• 分子量: 365.456
• InChiKey: HMZMHGXPYUPLSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-氯-7-甲氧基喹唑啉 、 2-(4-哌啶基)乙基]氨基磺酰胺盐酸盐 在 三乙胺 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 16.0h， 生成 N-(2-(1-(7-methoxyquinazolin-4-yl)piperidin-4-yl)ethyl)sulfamide
  参考文献：
  名称：

  Quinazolin-4-piperidin-4-methyl sulfamide PC-1 inhibitors: Alleviating hERG interactions through structure based design

  摘要：

  PC-1 (NPP-1) inhibitors may be useful as therapeutics for the treatment of CDDP (calcium pyrophosphate dehydrate) deposition disease and osteoarthritis. We have identified a series of potent quinazolin-4-piperidin-4-ethyl sulfamide PC-1 inhibitors. The series, however, suffers from high affinity binding to hERG potassium channels, which can cause drug-induced QT prolongation. We used a hERG homology model to identify potential key interactions between our compounds and hERG, and the information gained was used to design and prepare a series of quinazolin-4-piperidin-4-methyl sulfamides that retain PC-1 activity but lack binding affinity for hERG. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.006

文献信息

• ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF
  申请人：AbbVie Inc.

  公开号：US20200291024A1

  公开（公告）日：2020-09-17

  Disclosed herein are methods and compounds of augmenting and enhancing the production of type I IFNs in vivo. In some embodiments, the compounds disclosed herein are ENPP-1 inhibitors, pharmaceutical compositions, and methods for the treatment of cancer or a viral infection.