Cytochrome P450

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  1. Doxepin hydrochloride (mixture of isomers)
    CAS: 1229-29-4 EC Number: 214-966-8 Formula: C19H21NO · HCl Molecular Weight: 315.84
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D420993
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    Technical Identifiers
    IUPAC Name
    (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
    SMILES
    CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31.Cl
    InChIKey
    MHNSPTUQQIYJOT-SJDTYFKWSA-N
    InChI
    1S/C19H21NO.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11+;
    Synonyms
    Doxepin Hydrochloride|1229-29-4|Doxepin HCl|Adapin|(e)-doxepin hydrochloride|Doxepin (Hydrochloride)|4698-39-9|Curati...
  2. Dronedarone, Inhibitor of K v1.5
    CAS: 141626-36-0 EC Number: 604-240-2 Formula: C31H44N2O5S Molecular Weight: 556.77
    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 #: D421540
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    IUPAC Name
    N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide
    SMILES
    CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC
    InChIKey
    ZQTNQVWKHCQYLQ-UHFFFAOYSA-N
    InChI
    1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-1show more
    Synonyms
    Multaq | A807786 | HY-A0016 | NCGC00188863-02 | Tox21_113008 | DTXSID3048653 | N-(2-Butyl-3-(4-(3-(dibutylamino)propo...
  3. Ethylvanillin
    CAS: 121-32-4 EC Number: 204-464-7 Formula: C9H10O3 Molecular Weight: 166.17
    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 #: E420925
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    IUPAC Name
    3-ethoxy-4-hydroxybenzaldehyde
    SMILES
    CCOC1=C(C=CC(=C1)C=O)O
    InChIKey
    CBOQJANXLMLOSS-UHFFFAOYSA-N
    InChI
    1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
    Synonyms
    AB00949623_05 | ETHYL VANILLIN [FCC] | NSC 1803 | Vanillal | CAS-121-32-4 | ETHYL VANILLIN [USP-RS] | ETHYL VANILLIN ...
  4. Exemestane, Cytochrome P450 19A1 inhibitor
    CAS: 107868-30-4 EC Number: 643-090-2 Formula: C20H24O2 Molecular Weight: 296.403
    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 #: E129476
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    IUPAC Name
    (8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
    SMILES
    CC12CCC3C(C1CCC2=O)CC(=C)C4=CC(=O)C=CC34C
    InChIKey
    BFYIZQONLCFLEV-DAELLWKTSA-N
    InChI
    1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1
    Synonyms
    6-Methylene-androsta-1,4-diene-3,17-dione | 6-Methyleneandrosta-1,4-diene-3,17-dione | Exemestane (JAN/USP/INN) | BRD...
  5. Ezutromid, Utrophin modulator
    CAS: 945531-77-1 Formula: C19H15NO3S Molecular Weight: 337.4
    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 #: E412372
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    IUPAC Name
    5-ethylsulfonyl-2-naphthalen-2-yl-1,3-benzoxazole
    SMILES
    CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3=CC4=CC=CC=C4C=C3
    InChIKey
    KSGCNXAZROJSNW-UHFFFAOYSA-N
    InChI
    1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
    Synonyms
    BMN-195; SMT C1100 | BMN 195 | HY-17614 | AKOS030527030 | SCHEMBL732212 | SMT c1100 | SMTC1100 | SMT-C1100 | SMTC-110...
  6. FPH1 (BRD-6125)
    CAS: 708219-39-0 EC Number: 806-114-4 Formula: C16H15ClF2N2O3S Molecular Weight: 388.81
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: F425620
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    IUPAC Name
    2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
    SMILES
    CC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=C(C=CC=C2F)F)S(=O)(=O)C
    InChIKey
    WAOBCCBUTHNTFO-UHFFFAOYSA-N
    InChI
    1S/C16H15ClF2N2O3S/c1-10-6-7-11(17)8-14(10)21(25(2,23)24)9-15(22)20-16-12(18)4-3-5-13(16)19/h3-8H,9H2,1-2H3,(H,20,22)
    Synonyms
    AKOS000376622 | CCG-268509 | AC-36148 | BRD6125 | BRD-6125 | SW220075-1 | FPH-1(BRD6125) | 2-(N-(5-Chloro-2-methylphe...
  7. Fadrozole (CGS16949A), Inhibitor of CYP11B1;Inhibitor of CYP11B2;Inhibitor of CYP19A1
    CAS: 102676-47-1 EC Number: 862-508-6 Formula: C14H13N3 Molecular Weight: 223.27
    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 #: F414418
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    IUPAC Name
    4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
    SMILES
    C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N
    InChIKey
    CLPFFLWZZBQMAO-UHFFFAOYSA-N
    InChI
    1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
    Synonyms
    (Rac)-FAD286 | CGS 16949A free base
  8. Fadrozole (CGS16949A), Inhibitor of CYP11B1;Inhibitor of CYP11B2;Inhibitor of CYP19A1
    CAS: 102676-47-1 EC Number: 862-508-6 Formula: C14H13N3 Molecular Weight: 223.27
    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 #: F420391
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    Technical Identifiers
    IUPAC Name
    4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
    SMILES
    C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N
    InChIKey
    CLPFFLWZZBQMAO-UHFFFAOYSA-N
    InChI
    1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
    Synonyms
    EN300-114143 | SCHEMBL25491 | Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)- | Fadrozol [INN-Spanish...
  9. Fipronil
    CAS: 120068-37-3 EC Number: 424-610-5 Formula: C12H4Cl2F6N4OS Molecular Weight: 437.15
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: F420887
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    Technical Identifiers
    IUPAC Name
    5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
    SMILES
    C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F
    InChIKey
    ZOCSXAVNDGMNBV-UHFFFAOYSA-N
    InChI
    1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2
    Synonyms
    5-Amino-1- | BCP14931 | NCGC00094574-03 | 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethyls...
  10. Fipronil
    CAS: 120068-37-3 EC Number: 424-610-5 Formula: C12H4Cl2F6N4OS Molecular Weight: 437.15
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: F110005
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    Technical Identifiers
    IUPAC Name
    5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
    SMILES
    C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F
    InChIKey
    ZOCSXAVNDGMNBV-UHFFFAOYSA-N
    InChI
    1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2
    Synonyms
    5-Amino-1- | BCP14931 | NCGC00094574-03 | 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethyls...
  11. Flavanone, Antagonist of A 1 receptor;Antagonist of A 3 receptor
    CAS: 487-26-3 EC Number: 207-654-8 Formula: C15H12O2 Molecular Weight: 224.26
    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 #: F424225
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    IUPAC Name
    2-phenyl-2,3-dihydrochromen-4-one
    SMILES
    C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
    InChIKey
    ZONYXWQDUYMKFB-UHFFFAOYSA-N
    InChI
    1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
    Synonyms
    EINECS 207-654-8 | Flavanone-d5 | KBio2_003069 | KBioSS_000501 | FLAVANONE | DL-FLAVANONE | F4C11F5A-DFFA-4E0E-BCC9-2...
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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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