N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
• 化学式: C₂₃H₂₀N₄O₂
• 分子量: 384.4
• InChiKey: JFOVNJQCUHRYOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY
  申请人：Northwestern University

  公开号：US20170001976A1

  公开（公告）日：2017-01-05

  Disclosed are new small molecules having a substituted quinazoline core structure and the uses thereof for modulating glucocerebrosidase activity. Also disclosed are pharmaceutical compositions comprising the small molecules or activated glucocerebrosidase conjugated to the small molecules, which compositions may be administered in methods of treating diseases or disorders associated with glucocerebrosidase activity, including neurological diseases and disorders such as Gaucher's disease and Parkinson's disease.

  公开了具有取代喹唑啉核心结构的新小分子，以及它们用于调节葡萄糖苷脂酶活性的用途。还公开了包含这些小分子或与小分子结合的激活葡萄糖苷脂酶的药物组合物，这些组合物可以用于治疗与葡萄糖苷脂酶活性相关的疾病或失调，包括神经系统疾病和失调，如戈谢病和帕金森病。
• Substituted quinazoline compounds and uses thereof for modulating glucocerebrosidase activity
  申请人：Northwestern University

  公开号：US10167270B2

  公开（公告）日：2019-01-01

  Disclosed are new small molecules having a substituted quinazoline core structure and the uses thereof for modulating glucocerebrosidase activity. Also disclosed are pharmaceutical compositions comprising the small molecules or activated glucocerebrosidase conjugated to the small molecules, which compositions may be administered in methods of treating diseases or disorders associated with glucocerebrosidase activity, including neurological diseases and disorders such as Gaucher's disease and Parkinson's disease.

  公开了具有取代的喹唑啉核心结构的新小分子及其在调节葡萄糖脑苷脂酶活性方面的用途。还公开了包含这些小分子或与这些小分子共轭的活化葡萄糖脑苷脂的药物组合物，这些组合物可用于治疗与葡萄糖脑苷脂活性有关的疾病或紊乱，包括神经系统疾病和紊乱，如戈谢病和帕金森病。
• SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS AND USES THEREOF
  申请人：Northwestern University

  公开号：US20200283444A1

  公开（公告）日：2020-09-10

  Disclosed are new small molecules having a substituted pyrimidine or substituted fused pyrimidine core structure and the uses thereof for modulating glucocerebrosidase activity. Also disclosed are pharmaceutical compositions comprising the small molecules which may be administered in methods of treating diseases or disorders associated with glucocerebrosidase activity, including Gaucher's disease and neurological diseases and disorders such as genetic and sporadic synucleinopathies, including Parkinson's disease, dementia with Lewy bodies, and multiple system atrophy associated with aberrant glucocerebrosidase activity. The small molecules may contain a fluorophore or may be conjugated to a fluorophore in order to prepare a fluorescent probe for use in high throughput screening methods to identify new modulators of glucocerebrosidase activity via fluorescence polarization.