COMT

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  1. Opicapone, Catechol O-methyltransferase inhibitor
    CAS: 923287-50-7 分子式: C15H10Cl2N4O6 分子量: 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%
    ● 在庫あり — 米国 商品 #: O356703
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    技術識別子
    IUPAC名
    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
    同義語
    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 EC番号: 603-449-6 分子式: C14H15N3O5 分子量: 305.29
    固体 Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● 在庫あり — 米国 商品 #: E125270
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    技術識別子
    IUPAC名
    (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+
    同義語
    (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 EC番号: 218-942-8 分子式: C9H10O4 分子量: 182.17
    ● 在庫あり — 米国 商品 #: F129636
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    技術識別子
    IUPAC名
    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
    同義語
    13907 R.P. | FLOPROPIONE [INN] | propanoyl-phloroglucinol | Labrodax | 05V5NVB5Y1 | KBio2_001043 | Pharmakon1600-0150...
  4. U-0521
    CAS: 5466-89-7 PubChem CID: 21632 分子式: C10H12O3 分子量: 180.20
    ● 在庫あり — 米国 商品 #: U344159
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    技術識別子
    IUPAC名
    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
    同義語
    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 EC番号: 200-058-9 分子式: C10H12N2O 分子量: 176.22
    固体 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)
    ◐ .受注生産 · 8~12週間 商品 #: H303833
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    技術識別子
    IUPAC名
    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
    同義語
    5-HT | 3-(b-Aminoethyl)-5-hydroxyindole | 5 Hydroxytryptamine | Serotonine | 3-(.beta.-Aminoethyl)-5-hydroxyindole | ...
  6. Rosmarinic acid
    CAS: 20283-92-5 EC番号: 606-487-1 PubChem CID: 5281792 分子式: C18H16O8 分子量: 360.31
    固体 ≥97%
    ● 在庫あり — 米国 商品 #: R109805
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    技術識別子
    IUPAC名
    (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
    同義語
    (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 EC番号: 606-487-1 PubChem CID: 5281792 分子式: C18H16O8 分子量: 360.31
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥97%
    ● 在庫あり — 米国 商品 #: R109804
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    技術識別子
    IUPAC名
    (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
    同義語
    (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 EC番号: 628-480-2 PubChem CID: 160436 分子式: C10H12N2O·HCl 分子量: 212.68
    固体 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.
    ● 在庫あり — 米国 商品 #: S111161
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    技術識別子
    IUPAC名
    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
    同義語
    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 EC番号: 694-343-9 PubChem CID: 4659569 分子式: C14H11NO5 分子量: 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%
    ● 在庫あり — 米国 商品 #: T125285
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    技術識別子
    IUPAC名
    (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
    同義語
    NCGC00181767-02 | 5-[(4-METHYLPHENYL)CARBONYL]-3-NITROBENZENE-1,2-DIOL | C07949 | TOLCAPONE (USP MONOGRAPH) | N04BX01...
  10. OR-486
    CAS: 7659-29-2 EC番号: 642-347-6 分子式: C6H4N2O6 分子量: 200.11
    ● 在庫あり — 米国 商品 #: O287664
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    技術識別子
    IUPAC名
    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
    同義語
    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 分子式: C15H13NO5 分子量: 287.27
    ◐ .受注生産 · 8~12週間 商品 #: H190633
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    技術識別子
    IUPAC名
    (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
    同義語
    AKOS025146460 | HY-100642 | FT-0672265 | UNII-F90Q84HN93 | 4-Hydroxy-3-methoxy-4'-methyl-5-nitrobenzophenone | C72371...
  12. (-)-Gallocatechin gallate (GCG)
    CAS: 4233-96-9 EC番号: 636-979-1 分子式: C22H18O11 分子量: 458.37
    固体 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.
    ● 在庫あり — 米国 商品 #: G106898
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    技術識別子
    IUPAC名
    [(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
    同義語
    (-)-Gallocatechin 3-O-gallate | CCRIS 9286 | (-)-Gallocatechin gallate | Q27166763 | AKOS015901852 | NVP-XAA 225 | A8...
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よくある質問

Which compounds are listed for COMT?
Compounds associated with COMT are grouped here under the Metabolic Enzyme/Protease classification, with mechanism, structure, and reported potency shown per entry. Use it as a starting shortlist rather than a final selection.
How does COMT sit within Metabolic Enzyme/Protease?
COMT is one target listing within the Metabolic Enzyme/Protease classification. Compounds here may also appear under related targets, so check the selectivity data rather than assuming the annotation is exclusive.
What data should I check before ordering a compound from COMT?
For compounds listed under COMT, check purity — typically 98% or better by HPLC — the reported potency and the assay it was measured in, solubility and recommended stock solvent, and storage and stability. Batch-specific values are given on the Certificate of Analysis. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
How do I find related targets or backup compounds for COMT?
Browse the parent Metabolic Enzyme/Protease listing to reach targets neighbouring COMT, and use the structure search to find analogs of a compound that worked. Unlisted compounds and bulk quantities: [email protected]. We supply verified businesses, research institutions, universities, and government agencies.

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