AZD3839自由基

• 常用名: AZD3839自由基
• 英文名: AZD3839
• CAS号: 1227163-84-9
• 分子量: 431.413
• 密度: 1.4±0.1 g/cm3
• 沸点: 596.3±60.0 °C at 760 mmHg
• 分子式: C₂₄H₁₆F₃N₅
• 熔点: N/A
• 闪点: 314.4±32.9 °C

AZD3839自由基用途

AZD3839 (free base)是一个强的和选择性的BACE1 inhibitor,IC50是23.6 uM, 也是β-secretase酶的抑制剂。

AZD3839自由基名称

• 中文名: AZD3839自由基
• 英文名: azd-3839

AZD3839自由基生物活性

• 描述: AZD3839 (free base)是一个强的和选择性的BACE1 inhibitor,IC50是23.6 uM, 也是β-secretase酶的抑制剂。
• 相关类别:
  信号通路 >> 神经信号通路 >> β-分泌
  研究领域 >> 癌症
• 参考文献:

  [1]. Sparve E et al. Prediction and modeling of effects on the QTc interval for clinical safety margin assessment, based on single-ascending-dose study data with AZD3839. J Pharmacol Exp Ther. 2014 Aug;350(2):469-78.

  [2]. Jeppsson F et al. Discovery of AZD3839, a potent and selective BACE1 inhibitor clinical candidate for the treatment of Alzheimer disease. J Biol Chem. 2012 Nov 30;287(49):41245-57.

AZD3839自由基物理化学性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 596.3±60.0 °C at 760 mmHg
• 分子式: C₂₄H₁₆F₃N₅
• 分子量: 431.413
• 闪点: 314.4±32.9 °C
• 精确质量: 431.135773
• PSA: 77.05000
• LogP: 1.35
• InChIKey: MRXBCEQZNKUUIP-DEOSSOPVSA-N
• SMILES: NC1=NC(c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21
• 外观性状: 粉末
• 蒸汽压: 0.0±1.7 mmHg at 25°C
• 折射率: 1.674
• 储存条件: -20℃

AZD3839自由基靶点实验

查看更多实验

实验名称：Intrinsic clearance in rat hepatocytes assessed per 10'6 cells 来源：ChEMBL 靶标：Hepatocyte External Id：CHEMBL2182705

实验名称：Fraction unbound in C57BL/6 mouse plasma at 80 umol/kg, po 来源：ChEMBL 靶标：Plasma External Id：CHEMBL2187554

实验名称：Inhibition of human ERG expressed in CHO cells by IonWorks assay 来源：ChEMBL 靶标：Potassium voltage-gated channel subfamily H member 2 External Id：CHEMBL2182706

实验名称：Selectivity ratio of IC50 for human ERG to IC50 for BACE1 in human SH-SY5Y cells 来源：ChEMBL 靶标：N/A External Id：CHEMBL2182703

实验名称：Dissociation constant, pKa of the compound by pressure-assisted capillary electrophor... 来源：ChEMBL 靶标：N/A External Id：CHEMBL2182704

实验名称：Inhibition of BACE2 in human MNT1 cells assessed as increase in M-beta accumulation a... 来源：ChEMBL 靶标：Beta-secretase 2 External Id：CHEMBL4049289

实验名称：Inhibition of BACE1 in human SH-SY5Y cells assessed as inhibition of sAPPbeta release... 来源：ChEMBL 靶标：Beta-secretase 1 External Id：CHEMBL2183078

实验名称：Inhibition of human recombinant BACE1 using (europium)CEVNLDAEFK(Qsy7) as substrate i... 来源：ChEMBL 靶标：Beta-secretase 1 External Id：CHEMBL2183079

实验名称：Efflux ratio of apparent permeability from basal to apical to apical to basal side of... 来源：ChEMBL 靶标：Caco-2 External Id：CHEMBL2182707

实验名称：Apparent permeability from apical to basal side of human Caco2 cells at 10 uM after 6... 来源：ChEMBL 靶标：Caco-2 External Id：CHEMBL2182708

共28条，当前第1页，共3页

1

2

3

AZD3839自由基英文别名

• (1S)-1-(2-(Difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
• AZD3839
• (S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
• (1S)-1-[2-(Difluoromethyl)-4-pyridinyl]-4-fluoro-1-[3-(5-pyrimidinyl)phenyl]-1H-isoindol-3-amine
• AZD 3839
• AZD3839 (free base)