3-O-Methyltolcapone
Based on 1 Customer Validation
3-O-Methyltolcapone (Ro 40-7591) is a metabolite of Tolcapone (HY-17406). Tolcapone (Ro 40-7592) is a selective, potent and orally active COMT inhibitor with an IC50of 773 nM. Tolcapone can inhibits α-syn and Aβ42 oligomerization and fibrillogenesis. Tolcapone can cause oxidative stress and induce cancer cells apoptosis and ROS production. Tolcapone can be used for the researches of cancer and neurological disease, such as Parkinson disease and neuroblastoma.
For research use only. We do not sell to patients.
- Purity: 99.95%
- CAS No.: 134612-80-9
- Formula: C15H13NO5
- Molecular Weight:287.27
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
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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Apoptosis Compound Library
HY-L003
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Biological Activity
3-O-Methyltolcapone (1-10 μM, 18 h) stabilizes TTR tetramers in human plasma and reduces monomer formation[1].
3-O-Methyltolcapone binds to TTR with a Kd value of 33 nM[1].
3-O-Methyltolcapone (0.1-500 μM, 48 h) shows significantly lower toxicity in neuronal and hepatic cells and SH-SY5Y neuroblastoma cells[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. 134612-80-9
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Appearance Solid
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Molecular Weight 287.27
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Formula C15H13NO5
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Color Light yellow to yellow
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SMILES
O=C(C1=CC([N+]([O-])=O)=C(O)C(OC)=C1)C2=CC=C(C)C=C2
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Synonyms
Ro 40-7591
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMSO : 100 mg/mL (348.10 mM; Need ultrasonic; 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. 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. 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 (275 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]. Poonsiri T, et al. 3-O-Methyltolcapone and Its Lipophilic Analogues Are Potent Inhibitors of Transthyretin Amyloidogenesis with High Permeability and Low Toxicity. Int J Mol Sci. 2023 Dec 29;25(1):479. [Content Brief]
[2]. De Santi C, et al. Catechol-O-methyltransferase: variation in enzyme activity and inhibition by entacapone and tolcapone. Eur J Clin Pharmacol. 1998 May;54(3):215-9. [Content Brief]
[3]. Di Giovanni S, et al. Entacapone and tolcapone, two catechol O-methyltransferase inhibitors, block fibril formation of alpha-synuclein and beta-amyloid and protect against amyloid-induced toxicity. J Biol Chem. 2010 May 14;285(20):14941-14954. [Content Brief]
[4]. Ceravolo R, et al. 18F-dopa PET evidence that tolcapone acts as a central COMT inhibitor in Parkinson's disease. Synapse. 2002 Mar 1;43(3):201-7. [Content Brief]
[5]. Maser T, et al. Tolcapone induces oxidative stress leading to apoptosis and inhibition of tumor growth in Neuroblastoma. Cancer Med. 2017 Jun;6(6):1341-1352. [Content Brief]
[6]. Jorga K, et al. Metabolism and excretion of tolcapone, a novel inhibitor of catechol-O-methyltransferase. Br J Clin Pharmacol. 1999 Oct;48(4):513-20. [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. 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 | 3.4810 mL | 17.4052 mL | 34.8105 mL | 87.0261 mL |
| 5 mM | 0.6962 mL | 3.4810 mL | 6.9621 mL | 17.4052 mL | |
| 10 mM | 0.3481 mL | 1.7405 mL | 3.4810 mL | 8.7026 mL | |
| 15 mM | 0.2321 mL | 1.1603 mL | 2.3207 mL | 5.8017 mL | |
| 20 mM | 0.1741 mL | 0.8703 mL | 1.7405 mL | 4.3513 mL | |
| 25 mM | 0.1392 mL | 0.6962 mL | 1.3924 mL | 3.4810 mL | |
| 30 mM | 0.1160 mL | 0.5802 mL | 1.1603 mL | 2.9009 mL | |
| 40 mM | 0.0870 mL | 0.4351 mL | 0.8703 mL | 2.1757 mL | |
| 50 mM | 0.0696 mL | 0.3481 mL | 0.6962 mL | 1.7405 mL | |
| 60 mM | 0.0580 mL | 0.2901 mL | 0.5802 mL | 1.4504 mL | |
| 80 mM | 0.0435 mL | 0.2176 mL | 0.4351 mL | 1.0878 mL | |
| 100 mM | 0.0348 mL | 0.1741 mL | 0.3481 mL | 0.8703 mL |
3-O-Methyltolcapone Related Classifications
HY-100642 Related Classifications
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