((1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl)methyl)sulfamide | 1174169-96-0

• 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: ((1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl)methyl)sulfamide
• 英文别名: N-((1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl)methyl)sulfamide；N-[[1-(6,7-Dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]sulfamide；6,7-dimethoxy-4-[4-[(sulfamoylamino)methyl]piperidin-1-yl]quinazoline
• CAS: 1174169-96-0
• 化学式: C₁₆H₂₃N₅O₄S
• 分子量: 381.456
• InChiKey: FJQGFNBIJJYDFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  26
• 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：
  128
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (piperidin-4-ylmethyl)sulfamide hydrochloride 、 4-氯-6,7-二甲氧基喹唑啉 在 三乙胺 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 16.0h， 生成 ((1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl)methyl)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

• [EN] ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE L'ECTONUCLÉOTIDE PYROPHOSPHATASE-PHOSPHODIESTÉRASE (ENPP-1) ET UTILISATIONS DE CES DERNIERS
  申请人：MAVUPHARMA INC

  公开号：WO2019046778A1

  公开（公告）日：2019-03-07

  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.

  本文揭示了一种增强和促进体内I型干扰素产生的方法和化合物。在某些实施例中，本文所披露的化合物是ENPP-1抑制剂，药物组合物，以及用于治疗癌症或病毒感染的方法。
• COMPOSITIONS AND METHODS OF ENHANCING OR AUGMENTING TYPE I IFN PRODUCTION
  申请人：Mavupharma, Inc.

  公开号：EP3558319A1

  公开（公告）日：2019-10-30
• ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF
  申请人：Mavupharma, Inc.

  公开号：US20190282703A1

  公开（公告）日：2019-09-19

  Disclosed herein are ecto-nucleotide pyrophosphatase/phosphodiesterase (ENPP) complexes and synthetic molecules that interact with an ENPP protein. In some embodiments, also disclosed herein are modified ENPP polypeptides in complex with a synthetic molecule described herein.
• PHOSPHODIESTERASE INHIBITORS AND METHODS OF MICROBIAL TREATMENT
  申请人：Mavupharma, Inc.

  公开号：US20200085828A1

  公开（公告）日：2020-03-19

  Disclosed herein are methods and compounds for treating augmenting and enhancing the production of type I IFNs in vivo. In some embodiments, also disclosed herein include methods of activating and enhancing the cGAS-STING response and use of an inhibitor of a phosphodiesterase for the treatment of a microbial infection.
• 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.