Cytochrome P450

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  1. EDP-305
    CAS: 1933507-63-1 PubChem CID: 156583184 Formula: C36H58N2O5S Molecular Weight: 630.92
    ◐ .Made to order · 8–12 wks Item #: E646709
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    IUPAC Name
    1-(4-tert-butylphenyl)sulfonyl-3-[(3R)-3-[(3S,5R,6R,7R,8R,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tshow more
    SMILES
    CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCNC(=O)NS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C)C)C)O
    InChIKey
    SJKLCUGQVVYDCX-YNNXSQSESA-N
    InChI
    1S/C36H58N2O5S/c1-8-26-30-21-24(39)15-18-36(30,7)29-16-19-35(6)27(13-14-28(35)31(29)32(26)40)22(2)17-20-37-33(41)38-44(42,43)25-11-9-23(10-12-25)34(3,show more
  2. Itraconazole-d3, Cytochrome P450 51 inhibitor
    CAS: 1217512-35-0 Formula: C35H35D3Cl2N8O4 Molecular Weight: 708.65
    ◐ .Made to order · 8–12 wks Item #: I647083
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    IUPAC Name
    2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-show more
    SMILES
    CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
    InChIKey
    VHVPQPYKVGDNFY-UHFFFAOYSA-N
    InChI
    1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43show more
    Synonyms
    2-(butan-2-yl)-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)p...
  3. Gemfibrozil 1-O-β-glucuronide
    CAS: 91683-38-4 Formula: C21H30O9 Molecular Weight: 426.46
    ◐ .Made to order · 8–12 wks Item #: G647264
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    IUPAC Name
    (2S,3S,4S,5R,6S)-6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    SMILES
    CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O
    InChIKey
    CJMNXSKEVNPQOK-LVEJAMMSSA-N
    InChI
    1S/C21H30O9/c1-11-6-7-12(2)13(10-11)28-9-5-8-21(3,4)20(27)30-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-7,10,14-17,19,22-24H,5,8-9H2,1-4H3,(H,25,26)/t1show more
    Synonyms
    AKOS027324600 | beta-D-Glucopyranuronic acid, 1-(5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate) | 1-[5-(2,5-Dimethyl...
  4. 8-Geranyloxypsoralen
    CAS: 7437-55-0 EC Number: 806-173-6 Formula: C21H22O4 Molecular Weight: 338.41
    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%
    ◐ .Made to order · 8–12 wks Item #: G648061
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    IUPAC Name
    9-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
    SMILES
    CC(=CCCC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)C
    InChIKey
    SOVNCTNQAWWYAQ-OQLLNIDSSA-N
    InChI
    1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
    Synonyms
    MLS002472920 | 9-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one | SCHEMBL4538668 | CHEBI:174547...
  5. N-Nornuciferine
    CAS: 4846-19-9 PubChem CID: 12313579 Formula: C18H19NO2 Molecular Weight: 281.3
    ◐ .Made to order · 8–12 wks Item #: N649111
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    IUPAC Name
    (6aR)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
    SMILES
    COC1=C(C2=C3C(CC4=CC=CC=C42)NCCC3=C1)OC
    InChIKey
    QQKAHDMMPBQDAC-CQSZACIVSA-N
    InChI
    1S/C18H19NO2/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2/h3-6,10,14,19H,7-9H2,1-2H3/t14-/m1/s1
    Synonyms
    4H-Dibenzo[de,g]quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (R)- | N-Nornuciferine | 6a.beta.-Noraporphine, 1,2-di...
  6. ε-​Viniferin
    CAS: 62218-08-0 PubChem CID: 5281728 Formula: C28H22O6 Molecular Weight: 454.47
    ◐ .Made to order · 8–12 wks Item #: V649139
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    IUPAC Name
    5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
    SMILES
    C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O
    InChIKey
    FQWLMRXWKZGLFI-YVYUXZJTSA-N
    InChI
    1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/mshow more
    Synonyms
    1,3-BENZENEDIOL, 5-(2,3-DIHYDRO-6-HYDROXY-2-(4-HYDROXYPHENYL)-4-(2-(4-HYDROXYPHENYL)ETHENYL)-3-BENZOFURANYL)-, (2R-(2...
  7. D4-abiraterone
    CAS: 154229-21-7 PubChem CID: 196941 Formula: C24H29NO Molecular Weight: 347.49
    ◐ .Made to order · 8–12 wks Item #: D649990
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    IUPAC Name
    (8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
    SMILES
    CC12CCC(=O)C=C1CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C
    InChIKey
    GYJZZAJJENTSTP-NHFPKVKZSA-N
    InChI
    1S/C24H29NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13-15,19,21-22H,5-6,8-12H2,1-2H3/t19-,21-,22-,show more
    Synonyms
    GYJZZAJJENTSTP-NHFPKVKZSA-N | .DELTA.4-ABIRATERONE | Androsta-4,16-dien-3-one, 17-(3-pyridinyl)- | CAS-2140-46-7 | BD...
  8. Rhapontigenin 3'-O-glucoside
    CAS: 94356-22-6 PubChem CID: 45033634 Formula: C21H24O9 Molecular Weight: 420.41
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: R650547
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    Technical Identifiers
    IUPAC Name
    (2S,3R,4S,5S,6R)-2-[5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    SMILES
    COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
    InChIKey
    NMZBFHDKUAVGLR-DXKBKAGUSA-N
    InChI
    1S/C21H24O9/c1-28-15-5-4-11(2-3-12-6-13(23)9-14(24)7-12)8-16(15)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-show more
    Synonyms
    (2S,3R,4S,5S,6R)-2-(5-((E)-3,5-Dihydroxystyryl)-2-methoxyphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
  9. Pradefovir mesylate, DNA polymerase/reverse transcriptase inhibitor
    CAS: 625095-61-6 PubChem CID: 9604653 Formula: C18H23ClN5O7PS Molecular Weight: 519.90
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: P651206
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    Technical Identifiers
    IUPAC Name
    9-[2-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]methoxy]ethyl]purin-6-amine;methanesulfonic acid
    SMILES
    CS(=O)(=O)O.C1CO[P@@](=O)(O[C@@H]1C2=CC(=CC=C2)Cl)COCCN3C=NC4=C(N=CN=C43)N
    InChIKey
    JXQUAHHUSMJUFV-HZPZRMRQSA-N
    InChI
    1S/C17H19ClN5O4P.CH4O3S/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23;1-5(2,3)4/h1-3,8-10,14H,4-7,11H2,(H2,1show more
    Synonyms
    Pradefovir Mesylate | mb6866 | Pradefovir mesylate (Remofovir mesylate) | ICN-2001-3 | Pradefovir mesilate | PRADEFOV...
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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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