Verubecestat TFA
Based on 5 publication(s) in Google Scholar
Verubecestat (MK-8931) TFA is an orally active, high-affinity BACE1 and BACE2 inhibitor with Ki values of 2.2 nM and 0.38 nM. Verubecestat TFA effectively reduces Aβ40 and has the potential for Alzheimer's Disease.
For research use only. We do not sell to patients.
- Purity: 98.32%
- CAS No.: 2095432-65-6
- Formula: C19H18F5N5O5S
- Molecular Weight:523.43
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Storage:
4°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
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Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
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Publications Citing Use of MedChemExpress (MCE) Verubecestat TFA
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Biological Activity
Ki: 2.2 nM (BACE1) and 0.38 nM (BACE2)[1]
Verubecestat TFA (MK-8931) is a β-site amyloid precursor protein cleaving enzyme 1/2 (BACE1/2) inhibitor. Verubecestat TFA does not significantly inhibit human CYP isoforms 1A2, 2C9, 2C19, 2D6, and 3A4 (all IC50>40 μM), indicating that the compound is unlikely to be a perpetrator of CYP-mediated drug-drug interactions[1].
Verubecestat TFA has IC50s of 2.1 nM, 0.7 nM, 4.4 nM for Aβ1-40, Aβ1-42, sAPPβ in HEK293 APPSwe/Lon cells[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Verubecestat TFA (1 mg/kg; IV) has a T1/2 of 4.9 hours, a CL of 21 mL/min/kg, a Vss of 7.5 L/kg for cynomolgus monkeys[1].
Verubecestat TFA (1 mg/kg; IV) has a T1/2 of 9.7 hours, a CL of 4.3 mL/min/kg, a Vss of 2.7 L/kg for beagle dogs[1].
Verubecestat TFA (30 mg/kg; orally; BID for 5 days) causes a modest (1.4-fold) induction of CYP 3A1 activity but does not significantly alter the expression of CYPs 1A1, 1A2, 2B, 3A2, or 4A in rats[1].
Verubecestat TFA dose-dependently reduces CSF and cortex Aβ40 with ED50 values of 5 and 8 mg/kg, respectively, corresponding to unbound plasma EC50 values of 48 and 81 nM, respectively[1].
Verubecestat TFA (3 and 10 mg/kg; orally) reduces profound, sustained of CSF Aβ40 levels and has peak effects on CSF Aβ lowering (72 and 81% reduction at 3 and 10 mg/kg, respectively) 12 h after dosing[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 2095432-65-6
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Appearance Solid
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Molecular Weight 523.43
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Formula C19H18F5N5O5S
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Color Off-white to light yellow
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SMILES
O=C(C1=NC=C(C=C1)F)NC2=CC=C(C([C@@](C)(N=C(N3C)N)CS3(=O)=O)=C2)F.O=C(C(F)(F)F)O
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Synonyms
MK-8931 TFA
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
4°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
Publications (5)
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Journal Impact Factor
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Most Recent
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Cell Death Differ
CEND1 deficiency induces mitochondrial dysfunction and cognitive impairment in Alzheimer's disease. [Abstract]2022 Dec;29(12):2417-2428. PMID: 35732922 -
Microorganisms
In Silico Identification and In Vitro Validation of Repurposed Compounds Targeting the RSV Polymerase. [Abstract]2023 Jun 18;11(6):1608. PMID: 37375110 -
Front Biosci (Landmark Ed)
2024 Feb 21;29(2):78. PMID: 38420818 -
Cytokine
Shedding new light on BACE1-mediated modulation of IL-6 signaling: Implications for neural activity and synaptic plasticity in mice. [Abstract]2025 Apr 3:190:156925. PMID: 40184913 -
Solvent & Solubility
DMSO : 35 mg/mL (66.87 mM; Need ultrasonic and warming; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Purity & Documentation
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Data Sheet (278 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
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Handling Instructions (2659 KB)
References
[1]. Yan R, et al. Stepping closer to treating Alzheimer's disease patients with BACE1 inhibitor drugs. Transl Neurodegener. 2016 Jul 14;5:13. [Content Brief]
[2]. Scott JD, et al. Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A β-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer'sDisease. Med Chem. 2016 Dec 8;59(23):10435-10450. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 1.9105 mL | 9.5524 mL | 19.1048 mL | 47.7619 mL |
| 5 mM | 0.3821 mL | 1.9105 mL | 3.8210 mL | 9.5524 mL | |
| 10 mM | 0.1910 mL | 0.9552 mL | 1.9105 mL | 4.7762 mL | |
| 15 mM | 0.1274 mL | 0.6368 mL | 1.2737 mL | 3.1841 mL | |
| 20 mM | 0.0955 mL | 0.4776 mL | 0.9552 mL | 2.3881 mL | |
| 25 mM | 0.0764 mL | 0.3821 mL | 0.7642 mL | 1.9105 mL | |
| 30 mM | 0.0637 mL | 0.3184 mL | 0.6368 mL | 1.5921 mL | |
| 40 mM | 0.0478 mL | 0.2388 mL | 0.4776 mL | 1.1940 mL | |
| 50 mM | 0.0382 mL | 0.1910 mL | 0.3821 mL | 0.9552 mL | |
| 60 mM | 0.0318 mL | 0.1592 mL | 0.3184 mL | 0.7960 mL |
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