Cytochrome P450

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  1. PC945
    CAS: 1931946-73-4 PubChem CID: 121383526 Formula: C38H37F3N6O3 Molecular Weight: 682.73
    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 #: P646490
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    IUPAC Name
    4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]-3-methylphenyl]piperazin-1-yl]-N-(4-fluorophenyl)benzamide
    SMILES
    CC1=C(C=CC(=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
    InChIKey
    OSAMZQJKSCAOHA-CWRQMEKBSA-N
    InChI
    1S/C38H37F3N6O3/c1-26-18-33(46-16-14-45(15-17-46)32-9-2-28(3-10-32)37(48)44-31-7-4-29(39)5-8-31)11-13-36(26)49-21-27-20-38(50-22-27,23-47-25-42-24-43-show more
    Synonyms
    Opelconazole | GLXC-25375 | (62 R,64 R)-62 -(2,4-difluorophenyl)-N-(4-fluorophenyl)-33 - methyl-4-oxa-2(1,4)-piperazi...
  2. TES-991
    CAS: 1883602-20-7 PubChem CID: 137142884 Formula: C17H11N7OS2 Molecular Weight: 393.45
    ◐ .Made to order · 8–12 wks Item #: T646590
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    IUPAC Name
    6-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylsulfanyl]-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
    SMILES
    C1=CC(=CC(=C1)C2=NNN=N2)CSC3=NC(=C(C(=O)N3)C#N)C4=CC=CS4
    InChIKey
    VCDQAPTULMMFKX-UHFFFAOYSA-N
    InChI
    1S/C17H11N7OS2/c18-8-12-14(13-5-2-6-26-13)19-17(20-16(12)25)27-9-10-3-1-4-11(7-10)15-21-23-24-22-15/h1-7H,9H2,(H,19,20,25)(H,21,22,23,24)
  3. Itraconazole-d9
    CAS: 1309272-50-1 Formula: C35H29D9Cl2N8O4 Molecular Weight: 714.69
    ◐ .Made to order · 8–12 wks Item #: I646810
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    SMILES
    O=C(N(N=C1)C(C([2H])([2H])[2H])([2H])C([2H])([2H])C([2H])([2H])[2H])N1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](CO5)O[C@]5(C6=C(C=C(C=C6)Cl)Cl)CN7Cshow more
  4. AS1810722
    CAS: 909561-15-5 PubChem CID: 44208030 Formula: C25H25F2N7O Molecular Weight: 477.51
    ◐ .Made to order · 8–12 wks Item #: A647253
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    IUPAC Name
    2-[4-[4-[[7-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]acetamide
    SMILES
    C1CN(CCN1CC(=O)N)C2=CC=C(C=C2)NC3=NC=C4C=CN(C4=N3)CC5=CC(=CC(=C5)F)F
    InChIKey
    IJFRMEXSGYTWGY-UHFFFAOYSA-N
    InChI
    1S/C25H25F2N7O/c26-19-11-17(12-20(27)13-19)15-34-6-5-18-14-29-25(31-24(18)34)30-21-1-3-22(4-2-21)33-9-7-32(8-10-33)16-23(28)35/h1-6,11-14H,7-10,15-16Hshow more
  5. Chlorzoxazone-d3
    CAS: 1185173-60-7 Formula: C7HD3ClNO2 Molecular Weight: 172.58
    ◐ .Made to order · 8–12 wks Item #: C647128
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    IUPAC Name
    5-chloro-4,6,7-trideuterio-3H-1,3-benzoxazol-2-one
    SMILES
    C1=CC2=C(C=C1Cl)NC(=O)O2
    InChIKey
    TZFWDZFKRBELIQ-CBYSEHNBSA-N
    InChI
    1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)/i1D,2D,3D
  6. Quilseconazole
    CAS: 1340593-70-5 PubChem CID: 91886002 Formula: C22H14F7N5O2 Molecular Weight: 513.37
    ◐ .Made to order · 8–12 wks Item #: Q647410
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    IUPAC Name
    (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl]propan-2-ol
    SMILES
    C1=CC(=CC=C1C2=CN=C(C=C2)C(C(CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)OC(F)(F)F
    InChIKey
    NCEHACHJIXJSPD-FQEVSTJZSA-N
    InChI
    1S/C22H14F7N5O2/c23-15-4-7-17(18(24)9-15)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-5-16(6-2-13)36-22(27,28)29/h1-10,12,35H,11H2/t20-show more
    Synonyms
    1340593-70-5 | 2-PYRIDINEETHANOL, .ALPHA.-(2,4-DIFLUOROPHENYL)-.BETA.,.BETA.-DIFLUORO-.ALPHA.-(1H-TETRAZOL-1-YLMETHYL...
  7. Oteseconazole, Lanosterol 14-alpha demethylase inhibitor
    CAS: 1340593-59-0 EC Number: 841-499-2 Formula: C23H16F7N5O2 Molecular Weight: 527.39
    ● In Stock — US warehouse, ships to EU* Item #: O647411
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    Technical Identifiers
    IUPAC Name
    (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl]propan-2-ol
    SMILES
    C1=CC(=CC=C1C2=CN=C(C=C2)C(C(CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)OCC(F)(F)F
    InChIKey
    IDUYJRXRDSPPRC-NRFANRHFSA-N
    InChI
    1S/C23H16F7N5O2/c24-16-4-7-18(19(25)9-16)21(36,11-35-13-32-33-34-35)23(29,30)20-8-3-15(10-31-20)14-1-5-17(6-2-14)37-12-22(26,27)28/h1-10,13,36H,11-12Hshow more
    Synonyms
    CHEBI:188153 | Oteseconazole | 1340593-59-0 | 2-Pyridineethanol, alpha-(2,4-difluorophenyl)-beta,beta-difluoro-alpha-...
  8. ADDA 5 hydrochloride
    CAS: 473268-46-1 PubChem CID: 2882960 Formula: C24H36ClNO2 Molecular Weight: 406
    ◐ .Made to order · 8–12 wks Item #: A647854
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    IUPAC Name
    1-[2-(1-adamantyl)ethoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride
    SMILES
    C1CN(CC2=CC=CC=C21)CC(COCCC34CC5CC(C3)CC(C5)C4)O.Cl
    InChIKey
    YZSRZEWBOXEFRJ-UHFFFAOYSA-N
    InChI
    1S/C24H35NO2.ClH/c26-23(16-25-7-5-21-3-1-2-4-22(21)15-25)17-27-8-6-24-12-18-9-19(13-24)11-20(10-18)14-24;/h1-4,18-20,23,26H,5-17H2;1H
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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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