Cytochrome P450

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  1. 8-Methoxypsoralen, Agonist of TAS2R20
    CAS: 298-81-7 EC Number: 206-066-9 Formula: C12H8O4 Molecular Weight: 216.19
    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. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: M115185
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    IUPAC Name
    9-methoxyfuro[3,2-g]chromen-7-one
    SMILES
    COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
    InChIKey
    QXKHYNVANLEOEG-UHFFFAOYSA-N
    InChI
    1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
    Synonyms
    8-MOP | 9-METHOXY-2H-FURO[3,2-G]CHROMEN-2-ONE | 9-Methoxy-7H-furo(3,2-g)benzopyran-7-one | 9-Methoxy-7H-furo[3,2-g]ch...
  2. 8-Methoxy-d3 Psoralen
    CAS: 80386-99-8 Formula: C12H8O4 Molecular Weight: 219.17
    ◐ .Made to order · 8–12 wks Item #: M343673
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    IUPAC Name
    9-(trideuteriomethoxy)furo[3,2-g]chromen-7-one
    SMILES
    COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
    InChIKey
    QXKHYNVANLEOEG-FIBGUPNXSA-N
    InChI
    1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3/i1D3
    Synonyms
    9-(Methoxy-d3)-7H-furo[3,2-g][1]benzopyran-7-one | Methoxsalen-d3
  3. APD668, Agonist of GPR119
    CAS: 832714-46-2 Formula: C21H24FN5O5S Molecular Weight: 477.51
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥96%
    ● In Stock — US warehouse, ships to EU* Item #: A413612
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    IUPAC Name
    propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
    SMILES
    CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)S(=O)(=O)C)F
    InChIKey
    XTRUQJBVQBUKSQ-UHFFFAOYSA-N
    InChI
    1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3
    Synonyms
    BCP10207 | HY-Y1031A | ISOPROPYL 4-{[1-(2-FLUORO-4-METHANESULFONYLPHENYL)PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]OXY}PIPERIDINE...
  4. APD668, Agonist of GPR119
    CAS: 832714-46-2 Formula: C21H24FN5O5S Molecular Weight: 477.51
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A426154
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    IUPAC Name
    propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
    SMILES
    CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)S(=O)(=O)C)F
    InChIKey
    XTRUQJBVQBUKSQ-UHFFFAOYSA-N
    InChI
    1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3
    Synonyms
    BCP10207 | HY-Y1031A | ISOPROPYL 4-{[1-(2-FLUORO-4-METHANESULFONYLPHENYL)PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]OXY}PIPERIDINE...
  5. AZD-7325, Allosteric modulator of GABA A receptor α2 subunit;Allosteric modulator of GABA A receptor α3 subunit;Antagonist of MT 1 receptor
    CAS: 942437-37-8 EC Number: 935-772-6 Formula: C19H19FN4O2 Molecular Weight: 354.38
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: A412213
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    IUPAC Name
    4-amino-8-(2-fluoro-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide
    SMILES
    CCCNC(=O)C1=NN=C2C(=C1N)C=CC=C2C3=C(C=CC=C3F)OC
    InChIKey
    KYDURMHFWXCKMW-UHFFFAOYSA-N
    InChI
    1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)
    Synonyms
    AKOS037649295 | Q27074785 | SB17497 | D81581 | DB13994 | HY-111052 | KYDURMHFWXCKMW-UHFFFAOYSA-N | UNII-KNM216XOUH | ...
  6. Abiraterone Acetate, Cytochrome P450 17A1 inhibitor
    CAS: 154229-18-2 EC Number: 620-314-7 Formula: C26H33NO2 Molecular Weight: 391.55
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A421834
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    IUPAC Name
    [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
    SMILES
    CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC=C4C5=CN=CC=C5)C)C
    InChIKey
    UVIQSJCZCSLXRZ-UBUQANBQSA-N
    InChI
    1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3show more
    Synonyms
    ABIRATERONE ACETATE [MART.] | ABIRATERONE ACETATE [USP-RS] | ABIRATERONE ACETATE [VANDF] | AKOS001036413 | GTPL9288 |...
  7. Acetylshikonin
    CAS: 24502-78-1 Formula: C18H18O6 Molecular Weight: 330.33
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: A414376
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    IUPAC Name
    [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate
    SMILES
    CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C)C
    InChIKey
    WNFXUXZJJKTDOZ-OAHLLOKOSA-N
    InChI
    1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3/t15-/m1/s1
    Synonyms
    Shikonin, acetyl | AC-20169 | Acetylshikonin | AC-35023 | acetyl shikonin | DTXSID901317360 | AKOS015965847 | Q-10031...
  8. Acetylshikonin
    CAS: 24502-78-1 Formula: C18H18O6 Molecular Weight: 330.33
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 2mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A422831
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    Technical Identifiers
    IUPAC Name
    [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate
    SMILES
    CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C)C
    InChIKey
    WNFXUXZJJKTDOZ-OAHLLOKOSA-N
    InChI
    1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3/t15-/m1/s1
    Synonyms
    Shikonin, acetyl | AC-20169 | Acetylshikonin | AC-35023 | acetyl shikonin | DTXSID901317360 | AKOS015965847 | Q-10031...
  9. Aminoglutethimide, Cytochrome P450 11A1 inhibitor
    CAS: 125-84-8 EC Number: 204-756-4 Formula: C13H16N2O2 Molecular Weight: 232.278
    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%
    ● In Stock — US warehouse, ships to EU* Item #: A129479
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    IUPAC Name
    3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione
    SMILES
    CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N
    InChIKey
    ROBVIMPUHSLWNV-UHFFFAOYSA-N
    InChI
    1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
    Synonyms
    BA-16038 | NSC-330915 | 3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | NSC 330915 | Prestwick2_000244 | Prestwick3_...
  10. Androsta-1,4,6-triene-3,17-dione
    CAS: 633-35-2 Formula: C19H22O2 Molecular Weight: 282.38
    ◐ .Made to order · 8–12 wks Item #: A336525
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    IUPAC Name
    (8R,9S,10R,13S,14S)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
    SMILES
    CC12CCC3C(C1CCC2=O)C=CC4=CC(=O)C=CC34C
    InChIKey
    DKVSUQWCZQBWCP-QAGGRKNESA-N
    InChI
    1S/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,7,9,11,14-16H,5-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
    Synonyms
    A146-T317D | Q4545687 | AKOS030240786 | 1,4,6-Androstatriene-3,17-dione | DTXSID60862328 | HY-136092 | 1,4,6-Etioallo...
  11. Anthraflavic Acid
    CAS: 84-60-6 EC Number: 201-544-3 Formula: C14H8O4 Molecular Weight: 240.21
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A426204
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    IUPAC Name
    2,6-dihydroxyanthracene-9,10-dione
    SMILES
    C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O
    InChIKey
    APAJFZPFBHMFQR-UHFFFAOYSA-N
    InChI
    1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
    Synonyms
    Anthraquinone, 2,6-dihydroxy- | CCRIS 5593 | 2,6-dihydroxy-9,10-anthracenedione | ACon1_000002 | 2,6-dihydroxy-9,10-a...
  12. Atazanavir
    CAS: 198904-31-3 EC Number: 812-543-8 Formula: C38H52N6O7 Molecular Weight: 704.86
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A422419
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    IUPAC Name
    methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hyshow more
    SMILES
    CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC
    InChIKey
    AXRYRYVKAWYZBR-GASGPIRDSA-N
    InChI
    1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-show more
    Synonyms
    Tox21_113081 | 3,4-Dinitrobenzylalcohol | AMY31160 | atazanavirum | methyl ((5S,8S,9S,14S)-8-benzyl-5-(tert-butyl)-9-...
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Frequently Asked Questions

What can I find under Cytochrome P450?
This listing collects compounds associated with Cytochrome P450 within our Metabolic Enzyme/Protease area — inhibitors, agonists or antagonists, and reference tool compounds. Each entry links to its structure, CAS number, and reported activity so you can confirm the annotation before ordering.
What should I consider when picking a compound for Cytochrome P450?
Consider the reported potency of each Cytochrome P450 compound and the assay behind it, selectivity against closely related targets, cell permeability if you are working in cells, and stability in your buffer. Two chemically distinct compounds giving the same phenotype is much stronger evidence than one.
What quality information is provided for Cytochrome P450 compounds?
Each Cytochrome P450 product page lists purity, identity data, molecular formula and weight, and storage conditions, with a lot-specific Certificate of Analysis available. Solubility and handling notes are on the datasheet. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
Can I search Cytochrome P450 compounds by activity or structure?
Yes. Filter the Cytochrome P450 listing by mechanism — inhibitor, agonist, antagonist — and search by target name or gene symbol, CAS number, molecular formula, or SMILES to reach exact structures and close analogs. For bulk quantities or items not listed, contact [email protected].

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