Determine the necessary mass, volume, or concentration for preparing a solution.
Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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SKU | Size | Availability | Price | Qty |
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T125285-10mg | 10mg | In stock | $64.90 | |
T125285-50mg | 50mg | In stock | $122.90 | |
T125285-250mg | 250mg | In stock | $553.90 | |
T125285-1g | 1g | In stock | $1,992.90 | |
T125285-5g | 5g | In stock | $8,966.90 |
Potent, selective, reversible COMT inhibitor
Synonyms | NCGC00181767-02 | 5-[(4-METHYLPHENYL)CARBONYL]-3-NITROBENZENE-1,2-DIOL | C07949 | TOLCAPONE (USP MONOGRAPH) | N04BX01 | 5-(4-methylbenzoyl)-3-nitrobenzene-1,2-diol | CAS-134308-13-7 | SR-05000001444 | Tolcapone, >=98% (HPLC) | Tox21_112963 | DB00323 | MFC |
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Specifications & Purity | Moligand™, ≥99% |
Biochemical and Physiological Mechanisms | Tolcapone is a orally active inhibitor of peripheral and COMT (central catechol-O-methyltransferase). Antiparkinsonian.Potent, selective, reversible COMT inhibitor (K i = 30 nM). Shows antiparkinsonian effects in vivo. Orally active. |
Storage Temp | Store at 2-8°C |
Shipped In | Wet ice |
Grade | Moligand™ |
Action Type | INHIBITOR |
Mechanism of action | Catechol O-methyltransferase inhibitor |
Note | Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details. |
Product Description | Tolcapone is a selective, potent and reversible of catechol-O-methyl transferase (COMT) inhibitor with Ki of 30 nM. |
ALogP | 3.3 |
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Pubchem Sid | 488194951 |
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Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194951 |
IUPAC Name | (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone |
INCHI | InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3 |
InChi Key | MIQPIUSUKVNLNT-UHFFFAOYSA-N |
Canonical SMILES | CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-] |
Isomeric SMILES | CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-] |
RTECS | PC4952500 |
PubChem CID | 4659569 |
Molecular Weight | 273.24 |
PubChem CID | 4659569 |
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CAS Registry No. | 134308-13-7 |
DrugBank Ligand | DB00323 |
ChEMBL Ligand | CHEMBL1324 |
Wikipedia | Tolcapone |
RCSB PDB Ligand | TCW |
Reactome Reaction | R-HSA-9679775 |
Reactome Drug | R-ALL-9679856 |
DrugCentral Ligand | 2697 |
PubChem SID | 488194951 |
Enter Lot Number to search for COA:
Find and download the COA for your product by matching the lot number on the packaging.
Lot Number | Certificate Type | Date | Item |
---|---|---|---|
E2324331 | Certificate of Analysis | Mar 16, 2023 | T125285 |
E2324333 | Certificate of Analysis | Mar 16, 2023 | T125285 |
E2324336 | Certificate of Analysis | Mar 16, 2023 | T125285 |
E2324339 | Certificate of Analysis | Mar 16, 2023 | T125285 |
E2324340 | Certificate of Analysis | Mar 16, 2023 | T125285 |
E2324343 | Certificate of Analysis | Mar 16, 2023 | T125285 |
E2324348 | Certificate of Analysis | Mar 16, 2023 | T125285 |
E1528014 | Certificate of Analysis | Jan 06, 2023 | T125285 |
L1804110 | Certificate of Analysis | Aug 09, 2022 | T125285 |
Solubility | Soluble in water (partly), DMSO (55 mg/ml at 25 °C), and water (55 mg/ml at 25 °C). |
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Sensitivity | Heat Sensitive |
Melt Point(°C) | 145 °C |
Pictogram(s) | GHS09 |
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Signal | Warning |
Hazard Statements | H400:Very toxic to aquatic life |
Precautionary Statements | P273:Avoid release to the environment. P501:Dispose of contents/container to ... P391:Collect spillage. |
RTECS | PC4952500 |
Merck Index | 9508 |