COMT

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  1. Opicapone, Catechol O-methyltransferase inhibitor
    CAS: 923287-50-7 분자식: C15H10Cl2N4O6 분자량: 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%
    ● 재고 있음 — 미국 항목 #: O356703
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    IUPAC 이름
    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
    Synonyms
    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 번호: 603-449-6 분자식: C14H15N3O5 분자량: 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%
    ● 재고 있음 — 미국 항목 #: E125270
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    IUPAC 이름
    (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+
    Synonyms
    (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. 플로프로피온
    CAS: 2295-58-1 EC 번호: 218-942-8 분자식: C9H10O4 분자량: 182.17
    ● 재고 있음 — 미국 항목 #: F129636
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    IUPAC 이름
    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
    Synonyms
    13907 R.P. | FLOPROPIONE [INN] | propanoyl-phloroglucinol | Labrodax | 05V5NVB5Y1 | KBio2_001043 | Pharmakon1600-0150...
  4. U-0521
    CAS: 5466-89-7 PubChem CID: 21632 분자식: C10H12O3 분자량: 180.20
    ● 재고 있음 — 미국 항목 #: U344159
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    IUPAC 이름
    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
    Synonyms
    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 번호: 200-058-9 분자식: C10H12N2O 분자량: 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)
    ◐ .주문제작 · 8~12주 항목 #: H303833
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    IUPAC 이름
    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
    Synonyms
    5-HT | 3-(b-Aminoethyl)-5-hydroxyindole | 5 Hydroxytryptamine | Serotonine | 3-(.beta.-Aminoethyl)-5-hydroxyindole | ...
  6. Rosmarinic acid
    CAS: 20283-92-5 EC 번호: 606-487-1 PubChem CID: 5281792 분자식: C18H16O8 분자량: 360.31
    Solid ≥97%
    ● 재고 있음 — 미국 항목 #: R109805
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    IUPAC 이름
    (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
    Synonyms
    (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 번호: 606-487-1 PubChem CID: 5281792 분자식: C18H16O8 분자량: 360.31
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥97%
    ● 재고 있음 — 미국 항목 #: R109804
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    IUPAC 이름
    (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
    Synonyms
    (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 번호: 628-480-2 PubChem CID: 160436 분자식: C10H12N2O·HCl 분자량: 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.
    ● 재고 있음 — 미국 항목 #: S111161
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    IUPAC 이름
    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
    Synonyms
    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 번호: 694-343-9 PubChem CID: 4659569 분자식: C14H11NO5 분자량: 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%
    ● 재고 있음 — 미국 항목 #: T125285
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    IUPAC 이름
    (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
    Synonyms
    NCGC00181767-02 | 5-[(4-METHYLPHENYL)CARBONYL]-3-NITROBENZENE-1,2-DIOL | C07949 | TOLCAPONE (USP MONOGRAPH) | N04BX01...
  10. OR-486
    CAS: 7659-29-2 EC 번호: 642-347-6 분자식: C6H4N2O6 분자량: 200.11
    ● 재고 있음 — 미국 항목 #: O287664
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    IUPAC 이름
    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
    Synonyms
    3,5-Dinitropyrocatechol | HMS3372N08 | SMR000326837 | OR486 | OR-486 | NCGC00261162-01 | KBio2_003235 | NCGC00015309-...
  11. (4-하이드록시-3-메톡시-5-니트로페닐)(p-톨릴)메탄논
    CAS: 134612-80-9 분자식: C15H13NO5 분자량: 287.27
    ◐ .주문제작 · 8~12주 항목 #: H190633
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    IUPAC 이름
    (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
    Synonyms
    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 번호: 636-979-1 분자식: C22H18O11 분자량: 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.
    ● 재고 있음 — 미국 항목 #: G106898
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    IUPAC 이름
    [(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
    Synonyms
    (-)-Gallocatechin 3-O-gallate | CCRIS 9286 | (-)-Gallocatechin gallate | Q27166763 | AKOS015901852 | NVP-XAA 225 | A8...
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자주 묻는 질문

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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