2-[4-(2-Pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]ethanol

• 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: 2-[4-(2-Pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]ethanol
• 化学式: C₁₉H₂₁N₅O
• 分子量: 335.4
• InChiKey: IFYFFIYUPHBUAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  65.4
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS AND USES THERE<br/>[FR] COMPOSÉS DE PYRIMIDINE FUSIONNÉS SUBSTITUÉS ET LEURS UTILISATIONS
  申请人：UNIV NORTHWESTERN

  公开号：WO2019027765A1

  公开（公告）日：2019-02-07

  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.

  揭示了具有取代嘧啶或取代融合嘧啶核结构的新型小分子及其用途，用于调节葡萄糖鞘苷酶活性。还公开了包含这些小分子的药物组合物，可用于治疗与葡萄糖鞘苷酶活性相关的疾病或疾病，包括高雪氏病和神经系统疾病和障碍，如遗传性和散发性突触核蛋白病，包括帕金森病、带有莱维小体的痴呆症和与异常葡萄糖鞘苷酶活性相关的多系统萎缩。这些小分子可能含有荧光团或与荧光团结合，以制备用于高通量筛选方法中识别通过荧光极化调节葡萄糖鞘苷酶活性的新调节剂的荧光探针。
• 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.