bace1 in 1

BACE1-IN-1 is a high brain penetrant BACE1 inhibitor (IC50s: 32 and 47 nM for human BACE1 and BACE2).

BACE1 2-IN-1 (化合物 34) 是有效的BACE1和BACE2抑制剂，IC50分别为 0.01 和 0.0053 μM。BACE1 2-IN-1 具有较低的 Pgp 外排比和改善的被动渗透率。BACE1 2-IN-1 在肝脏微粒体中代谢稳定性降低。

AChE BACE1 GSK3β-IN-1 是一种口服具有活力的、可透过血脑屏障的、生物利用度适中的 AChE BACE1 GSK3β的三重抑制剂。AChE BACE1 GSK3β- IN -1 能够抑制 AChE (IC50: 1.0 μM)、BACE1 (IC50: 20 μM) 和 GSK3β (IC50: 15 μM)。AChE BACE1 GSK3β-IN-1 能够用于研究阿尔茨海默 (AD)。

BACE1-IN-10为高效的BACE1抑制剂，对重组BACE1（rBACE1）显示出亚微摩尔级别的抑制活性。

BACE1-IN-13 (Compound 36)为一种BACE1抑制剂，展现出口服活性，IC50为2.9 nM。该化合物在hAβ42细胞中显示出强效 (IC50=1.3 nM)，证实了其心血管安全性，并在小鼠与狗的动物模型中有效降低Aβ42水平。

AChE BChE BACE-1-IN-1 (Compound 4k) is an orally active inhibitor that targets acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and β-site amyloid precursor protein cleaving enzyme 1 (BACE-1). It displays IC50 values of 0.058 μM, 0.082 μM, and 0.115 μM against hAChE, hBChE, and hBACE-1, respectively. AChE BChE BACE-1-IN-1 exhibits significant binding affinity with PAS-AChE, excellent ability to cross the blood-brain barrier, potential disassembly of amyloid-beta (Aβ) aggregates, and neuroprotective properties against Aβ-induced stress. Moreover, AChE BChE BACE-1-IN-1 demonstrates remarkable antioxidant capabilities [1].

BACE1-IN-12 是能够透过血脑屏障的、有效的 BACE1 抑制剂 (IC50: 8.9 μM)。BACE1-IN-12 能够选择性的抑制 BuChE(丁基胆碱酯酶) 的活性 (IC50: 3.2 μM)。BACE1-IN-12 表现出较好的抗氧化活性，对 DPPH 的 IC50 值为 10.2 μM。BACE1-IN-12 具有潜力进行抗阿尔茨海默病的研究。

Atabecestat (JNJ-54861911) 是一种具有口服活性和脑渗透性的 β-位淀粉样蛋白前体蛋白裂解酶 1 (BACE1) 抑制剂，减缓临床前阿尔茨海默病参与者的认知能力下降。Atabecestat 可用于研究阿尔茨海默氏病。

Auraptene 是一种丰富的天然香叶氧基香豆素。它能够抑制基质金属蛋白酶 2 以及关键炎症因子，包括 IL-6，IL-8 和趋化因子 (C-C 基序) 配体-5 (CCL5）的分泌。

(1α,1'S,4β)-Lanabecestat is a Beta site APP Cleaving Enzymel (BACE1) inhibitor, and has IC50s of 2.2 nM (TR-FRET assay) and 0.28 nM (sAPPp release assay), respectively.

BACE1-IN-2 is a BACE1 inhibitor (IC50: 22 nM).

BACE1-IN-4 is a potent and highly selective BACE1 inhibitor (IC50: 3.8 nM; Ki: 1.9 nM), more selective at BACE1 over BACE2.

BACE1-IN-5 (Compound 15) 是一种 BACE1抑制剂，IC50为 9.1 nM。BACE1-IN-5还可抑制细胞 Aβ，IC50为 0.82 nM。并且，BACE1-IN-5 具有改善 hERG 抑制和 P-gp 外排的药物化学作用。

PF-06751979 is an inhibitor of β-site amyloid precursor protein cleaving enzyme 1 (BACE1) (IC50 of 7.3 nM in BACE1 binding assay).

BACE-IN-1 acetate (BACE-IN-1 acetate (350228-37-4，Free base)) 已被用作 BACE1 抑制剂测定中的 β 位淀粉样前体蛋白 (APP) 裂解酶-1 (BACE1) 抑制剂。 β-位点淀粉样前体蛋白 (APP) 切割酶-1 (BACE1)是一种天冬氨酸蛋白酶，属于蛋白酶家族，由六个腔内半胱氨酸残基组成。这些残基有助于形成三个分子间二硫键和 N-连接的糖基化位点。

6,9-Dichloro-1,2,3,4-tetrahydroacridine is a synthetic intermediate in the synthesis of tacrine-based acetylcholinesterase (AChE) inhibitors.1It is also an intermediate in the synthesis of multifunctional tacrine hybrids that possess radical scavenging, amyloid-β aggregation inhibitory, and or β-secretase 1 (BACE1) inhibitory activities in addition to their activity as AChE inhibitors.2,3 1.Recanatini, M., Cavalli, A., Belluti, F., et al.SAR of 9-amino-1,2,3,4-tetrahydroacridine-based acetylcholinesterase inhibitors: Synthesis, enzyme inhibitory activity, QSAR, and structure-based CoMFA of tacrine analoguesJ. Med. Chem.43(10)2007-2018(2000) 2.Digiacomo, M., Chen, Z., Wang, S., et al.Synthesis and pharmacological evaluation of multifunctional tacrine derivatives against several disease pathways of ADBioorg. Med. Chem. Lett.25(4)807-810(2015) 3.Li, S.Y., Jiang, N., Xie, S.S., et al.Design, synthesis and evaluation of novel tacrine-rhein hybrids as multifunctional agents for the treatment of Alzheimer's diseaseOrg. Biomol. Chem.12(5)801-814(2014)

BACE1-IN-6 is a BACE1 inhibitor with an IC 50 value of 1.5 nM.

AChE-IN-11 (compound 5C) 可用于阿尔茨海默病的研究，它具有神经保护作用和良好的抗氧化活性 (ORAC = 2.5 eq) 。AChE-IN-11 是一种很好的多功能剂，其对于AChE、MAO-B 和 BACE1 的 IC 50 值分别为 7.9 μM、9.9 μM 和 8.3 μM。AChE-IN-11 具有混合型 AChE 抑制作用，可与结合AChE 的 CAS 和 PAS 结合。AChE-IN-11 也是一种选择性金属离子螯合剂。

BACE1-IN-8 是 BACE1 (β 位 APP 裂解酶 1) 的有效抑制剂 (IC50: 3.9 μM)。

Verubecestat tosylate, also known as MK-8931 or SCH 900931, is a potent and selective beta-secretase inhibitor, and BACE1 protein inhibitor or Beta-site APP-cleaving enzyme 1 inhibitor. Verubecestat tosylate is a promising novel therapeutic drug candidate in Alzheimer's disease. Verubecestat tosylate reduced Aβ cerebral spinal fluids (CSF) levels up to 92% and was well tolerated by patients.

Verubecestat TFA, also known as MK-8931 or SCH 900931, is a potent and selective beta-secretase inhibitor, and BACE1 protein inhibitor or Beta-site APP-cleaving enzyme 1 inhibitor. Verubecestat TFA is a promising novel therapeutic drug candidate in Alzheimer's disease. Verubecestat TFA reduced Aβ cerebral spinal fluids (CSF) levels up to 92% and was well tolerated by patients.

PD07是一种口服AChE抑制剂，对hAChE的IC50为0.29 μM。体外实验表明PD07也能抑制ChE、BACE1（IC50：13.42 μM）和Aβ1-42的聚集。作为抗氧化剂，PD07显示出DPPH抑制活性（IC50：26.46 μM），能改善因Scopolamine诱导而失忆的大鼠的记忆和认知功能。该化合物适用于阿尔茨海默病的研究。

BuChE-IN-8 (compound 19c) 为有效抑制 BuChE 的化合物，IC50 值为 559 nM；展现对 BACE1 及 Aβ40 聚集的抑制活性，亦具有显著的抗遗忘特性。

BuChE-IN-9 (compound 22a) 作为eqBuChE的抑制剂，表现出相当的效力，具有173 nM的IC50值。除此之外，BuChE-IN-9对人BACE1、Aβ聚集及小鼠mGAT1和mGAT4也具有抑制作用，并且显示出显著的抗遗忘特性。