COMT

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  1. Opicapone, Catechol O-methyltransferase inhibitor
    CAS: 923287-50-7 Formule: C15H10Cl2N4O6 Poids moléculaire: 413.17
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● En stock — Entrepôt aux États-Unis, expédition vers l'EU* Article #: O356703
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    Nom IUPAC
    5-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzene-1,2-diol
    SMILES
    CC1=C(C(=[N+](C(=C1Cl)C)[O-])Cl)C2=NOC(=N2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]
    InChIKey
    ASOADIZOVZTJSR-UHFFFAOYSA-N
    InChI
    1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3
    Synonymes
    5-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzene-1,2-diol | compound 3...
  2. Entacapone, Catechol O-methyltransferase inhibitor
    CAS: 130929-57-6 Numéro CE: 603-449-6 Formule: C14H15N3O5 Poids moléculaire: 305.29
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● En stock — Entrepôt aux États-Unis, expédition vers l'EU* Article #: E125270
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    Nom IUPAC
    (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
    SMILES
    CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N
    InChIKey
    JRURYQJSLYLRLN-BJMVGYQFSA-N
    InChI
    1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+
    Synonymes
    (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide | 2-Cyano-N,N-diethyl-3-(3,4-dihydroxy-5-nitro...
  3. Flopropione
    CAS: 2295-58-1 Numéro CE: 218-942-8 Formule: C9H10O4 Poids moléculaire: 182.17
    ● En stock — Entrepôt aux États-Unis, expédition vers l'EU* Article #: F129636
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    Nom IUPAC
    1-(2,4,6-trihydroxyphenyl)propan-1-one
    SMILES
    CCC(=O)C1=C(C=C(C=C1O)O)O
    InChIKey
    PTHLEKANMPKYDB-UHFFFAOYSA-N
    InChI
    1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3
    Synonymes
    13907 R.P. | FLOPROPIONE [INN] | propanoyl-phloroglucinol | Labrodax | 05V5NVB5Y1 | KBio2_001043 | Pharmakon1600-0150...
  4. U-0521
    CAS: 5466-89-7 PubChem CID: 21632 Formule: C10H12O3 Poids moléculaire: 180.20
    ● En stock — Entrepôt aux États-Unis, expédition vers l'EU* Article #: U344159
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    Nom IUPAC
    1-(3,4-dihydroxyphenyl)-2-methylpropan-1-one
    SMILES
    CC(C)C(=O)C1=CC(=C(C=C1)O)O
    InChIKey
    VDQLKIBLTMPAHI-UHFFFAOYSA-N
    InChI
    1S/C10H12O3/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,11-12H,1-2H3
    Synonymes
    3',4'-Dihydroxyisobutyrophenone | U 0521 | NSC 27389 | HMS2765J17 | MLS000738074 | 1-(3,4-Dihydroxy-phenyl)-2-methyl-...
  5. 5-Hydroxytryptamine, Agonist of 5-HT 1A receptor;Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor;Agonist of 5-ht 1e receptor;Agonist of 5-HT 1F receptor;Agonist of 5-HT 2A receptor;Agonist of 5-HT 2B receptor;Agonist of 5-HT 2C receptor;Agonist of 5-HT 3A;Agonist of 5
    CAS: 50-67-9 Numéro CE: 200-058-9 Formule: C10H12N2O Poids moléculaire: 176.22
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
    ◐ .Sur commande · 8–12 semaines Article #: H303833
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    Nom IUPAC
    3-(2-aminoethyl)-1H-indol-5-ol
    SMILES
    C1=CC2=C(C=C1O)C(=CN2)CCN
    InChIKey
    QZAYGJVTTNCVMB-UHFFFAOYSA-N
    InChI
    1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
    Synonymes
    5-HT | 3-(b-Aminoethyl)-5-hydroxyindole | 5 Hydroxytryptamine | Serotonine | 3-(.beta.-Aminoethyl)-5-hydroxyindole | ...
  6. Rosmarinic acid
    CAS: 20283-92-5 Numéro CE: 606-487-1 PubChem CID: 5281792 Formule: C18H16O8 Poids moléculaire: 360.31
    Solid ≥97%
    ● En stock — Entrepôt aux États-Unis, expédition vers l'EU* Article #: R109805
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    Nom IUPAC
    (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
    SMILES
    OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c(O)c2
    InChIKey
    DOUMFZQKYFQNTF-WUTVXBCWSA-N
    InChI
    1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
    Synonymes
    (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid | (2R)-3-(3,4-dihydroxyphen...
  7. Rosmarinic acid
    CAS: 20283-92-5 Numéro CE: 606-487-1 PubChem CID: 5281792 Formule: C18H16O8 Poids moléculaire: 360.31
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥97%
    ● En stock — Entrepôt aux États-Unis, expédition vers l'EU* Article #: R109804
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    Nom IUPAC
    (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
    SMILES
    OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c(O)c2
    InChIKey
    DOUMFZQKYFQNTF-WUTVXBCWSA-N
    InChI
    1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
    Synonymes
    (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid | (2R)-3-(3,4-dihydroxyphen...
  8. Serotonin hydrochloride
    CAS: 153-98-0 Numéro CE: 628-480-2 PubChem CID: 160436 Formule: C10H12N2O·HCl Poids moléculaire: 212.68
    Solid AR ? Analytical Reagent grade — high-purity chemicals meeting strict assay limits for lab analysis. Use when accuracy matters and trace impurities could skew results. Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    ● En stock — Entrepôt aux États-Unis, expédition vers l'EU* Article #: S111161
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    Nom IUPAC
    3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride
    SMILES
    C1=CC2=C(C=C1O)C(=CN2)CCN.Cl
    InChIKey
    MDIGAZPGKJFIAH-UHFFFAOYSA-N
    InChI
    1S/C10H12N2O.ClH/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h1-2,5-6,12-13H,3-4,11H2;1H
    Synonymes
    5-HT hydrochloride | CHEBI:181195 | SR-01000075577-1 | 5-HT HCl | 5-hydroxy tryptamine hydrochloride | A809482 | MFCD...
  9. Tolcapone, Catechol O-methyltransferase inhibitor
    CAS: 134308-13-7 Numéro CE: 694-343-9 PubChem CID: 4659569 Formule: C14H11NO5 Poids moléculaire: 273.24
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ● En stock — Entrepôt aux États-Unis, expédition vers l'EU* Article #: T125285
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    Nom IUPAC
    (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone
    SMILES
    CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
    InChIKey
    MIQPIUSUKVNLNT-UHFFFAOYSA-N
    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
    Synonymes
    NCGC00181767-02 | 5-[(4-METHYLPHENYL)CARBONYL]-3-NITROBENZENE-1,2-DIOL | C07949 | TOLCAPONE (USP MONOGRAPH) | N04BX01...
  10. OR-486
    CAS: 7659-29-2 Numéro CE: 642-347-6 Formule: C6H4N2O6 Poids moléculaire: 200.11
    ● En stock — Entrepôt aux États-Unis, expédition vers l'EU* Article #: O287664
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    Nom IUPAC
    3,5-dinitrobenzene-1,2-diol
    SMILES
    C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-]
    InChIKey
    VDCDWNDTNSWDFJ-UHFFFAOYSA-N
    InChI
    1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H
    Synonymes
    3,5-Dinitropyrocatechol | HMS3372N08 | SMR000326837 | OR486 | OR-486 | NCGC00261162-01 | KBio2_003235 | NCGC00015309-...
  11. (4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone
    CAS: 134612-80-9 Formule: C15H13NO5 Poids moléculaire: 287.27
    ◐ .Sur commande · 8–12 semaines Article #: H190633
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    Nom IUPAC
    (4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone
    SMILES
    CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]
    InChIKey
    VCNSNEJUGBEWTA-UHFFFAOYSA-N
    InChI
    1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3
    Synonymes
    AKOS025146460 | HY-100642 | FT-0672265 | UNII-F90Q84HN93 | 4-Hydroxy-3-methoxy-4'-methyl-5-nitrobenzophenone | C72371...
  12. (-)-Gallocatechin gallate (GCG)
    CAS: 4233-96-9 Numéro CE: 636-979-1 Formule: C22H18O11 Poids moléculaire: 458.37
    Solid Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    ● En stock — Entrepôt aux États-Unis, expédition vers l'EU* Article #: G106898
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    Nom IUPAC
    [(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
    SMILES
    C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
    InChIKey
    WMBWREPUVVBILR-NQIIRXRSSA-N
    InChI
    1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
    Synonymes
    (-)-Gallocatechin 3-O-gallate | CCRIS 9286 | (-)-Gallocatechin gallate | Q27166763 | AKOS015901852 | NVP-XAA 225 | A8...
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Foire aux questions

How is the COMT listing put together?
It draws on reported COMT annotations within Neuronal Signaling and lists each compound with its structure, identifiers, and the activity published for it. Always check the underlying assay before comparing potency values across entries.
How do I choose a COMT modulator for my assay?
Start from the assay format and readout — biochemical, cell-based, or in vivo — then compare the COMT entries on potency, selectivity over related family members, and solubility in your vehicle. Where several chemotypes are available, a reference compound plus a structurally unrelated backup is the usual way to control for off-target effects.
Which specifications matter most for COMT compounds?
Purity and identity confirmation come first, then solubility in DMSO or your chosen vehicle, recommended storage temperature, and stability in solution. For COMT work in particular, freshly prepared stocks avoid most of the reproducibility problems seen with stored plates. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
What if the COMT compound I need is not listed?
Search by CAS number or SMILES first, since analogs of COMT compounds are often catalogued under a related target. Custom synthesis and bulk enquiries go to [email protected]. We supply verified businesses, research institutions, universities, and government agencies.

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