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  1. Sodium Dichloroacetate, Pyruvate dehydrogenase kinase inhibitor
    CAS: 2156-56-1 EC Number: 218-461-3 PubChem CID: 517326 Formula: C2HCl2NaO2 Molecular Weight: 150.92
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%(T)
    ● In Stock — Germany Item #: S161074
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    Technical Identifiers
    IUPAC Name
    sodium;2,2-dichloroacetate
    SMILES
    C(C(=O)[O-])(Cl)Cl.[Na+]
    InChIKey
    LUPNKHXLFSSUGS-UHFFFAOYSA-M
    InChI
    1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
    Synonyms
    Tox21_301394 | DTXCID6017207 | Dichloroctan sodny | NSC-744479 | ACETIC ACID, DICHLORO-, SODIUM SALT | Tox21_113573 |...
  2. Dicoumarol, Inhibitor of vitamin K epoxide reductase complex subunit 1
    CAS: 66-76-2 EC Number: 200-632-9 Formula: C19H12O6 Molecular Weight: 336.3
    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 #: D155113
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    Technical Identifiers
    IUPAC Name
    4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
    SMILES
    C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O
    InChIKey
    DOBMPNYZJYQDGZ-UHFFFAOYSA-N
    InChI
    1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
    Synonyms
    2H-1-Benzopyran-2-one, 3,3'-methylenebis(4-hydroxy- | Di-4-hydroxy-3,3'-methylenedicoumarin | Temparin | 3,3'-Methyle...
  3. Sodium Dichloroacetate
    CAS: 2156-56-1 EC Number: 218-461-3 PubChem CID: 517326 Formula: C2HCl2NaO2 Molecular Weight: 150.92
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%(T)
    ● In Stock — US warehouse, ships to EU* Item #: S161233
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    Technical Identifiers
    IUPAC Name
    sodium;2,2-dichloroacetate
    SMILES
    C(C(=O)[O-])(Cl)Cl.[Na+]
    InChIKey
    LUPNKHXLFSSUGS-UHFFFAOYSA-M
    InChI
    1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
    Synonyms
    Sodium dichloroacetate [USAN] | Bichloroacetic Acid | Dichloroacetate Sodium | Ceresine | sodium 2,2-dichloroacetate ...
  4. JX 06
    CAS: 729-46-4 EC Number: 211-980-6 Formula: C10H16N2O2S4 Molecular Weight: 324.51
    Solid ≥98%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: J287923
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    Technical Identifiers
    IUPAC Name
    morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate
    SMILES
    C1COCCN1C(=S)SSC(=S)N2CCOCC2
    InChIKey
    KKVYOWPPMNSLCP-UHFFFAOYSA-N
    InChI
    1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2
    Synonyms
    4-27-00-00313 (Beilstein Handbook Reference) | E75048 | MLS003171519 | BDBM50414944 | Bis(morpholinothiocarbonyl)disu...
  5. AZD7545, Inhibitor of pyruvate dehydrogenase kinase 1;Inhibitor of pyruvate dehydrogenase kinase 2
    CAS: 252017-04-2 Formula: C19H18ClF3N2O5S Molecular Weight: 478.87
    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 #: A422872
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    Technical Identifiers
    IUPAC Name
    4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfonyl-N,N-dimethylbenzamide
    SMILES
    CC(C(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C)Cl)(C(F)(F)F)O
    InChIKey
    DTDZLJHKVNTQGZ-GOSISDBHSA-N
    InChI
    1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1
    Synonyms
    CCG-269530 | NCGC00250391-07 | AZD-7547 | GTPL9362 | SCHEMBL6350247 | 4-{3-chloro-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2...
  6. AZD7545, Inhibitor of pyruvate dehydrogenase kinase 1;Inhibitor of pyruvate dehydrogenase kinase 2
    CAS: 252017-04-2 Formula: C19H18ClF3N2O5S Molecular Weight: 478.87
    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 #: A413767
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    Technical Identifiers
    IUPAC Name
    4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfonyl-N,N-dimethylbenzamide
    SMILES
    CC(C(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C)Cl)(C(F)(F)F)O
    InChIKey
    DTDZLJHKVNTQGZ-GOSISDBHSA-N
    InChI
    1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1
    Synonyms
    CCG-269530 | NCGC00250391-07 | AZD-7547 | GTPL9362 | SCHEMBL6350247 | 4-{3-chloro-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2...
  7. Dicoumarol, Inhibitor of vitamin K epoxide reductase complex subunit 1
    CAS: 66-76-2 EC Number: 200-632-9 Formula: C19H12O6 Molecular Weight: 336.3
    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 #: D425364
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    Technical Identifiers
    IUPAC Name
    4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
    SMILES
    C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O
    InChIKey
    DOBMPNYZJYQDGZ-UHFFFAOYSA-N
    InChI
    1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
    Synonyms
    dicumarol|dicoumarol|66-76-2|Bishydroxycoumarin|dicoumarin|melitoxin|bis-hydroxycoumarin|Antitrombosin|Baracoumin|Dic...
  8. JX 06
    CAS: 729-46-4 EC Number: 211-980-6 Formula: C10H16N2O2S4 Molecular Weight: 324.51
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: J425695
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    Technical Identifiers
    IUPAC Name
    morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate
    SMILES
    C1COCCN1C(=S)SSC(=S)N2CCOCC2
    InChIKey
    KKVYOWPPMNSLCP-UHFFFAOYSA-N
    InChI
    1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2
    Synonyms
    4-27-00-00313 (Beilstein Handbook Reference) | E75048 | MLS003171519 | BDBM50414944 | Bis(morpholinothiocarbonyl)disu...
  9. KPLH1130
    CAS: 906669-07-6 Formula: C15H13N3O3 Molecular Weight: 283.28
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: K412822
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    Technical Identifiers
    IUPAC Name
    3-(2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1H-1,2,4-triazol-5-one
    SMILES
    CC1=CC=C(C=C1)N2C(=NNC2=O)C3=C(C=C(C=C3)O)O
    InChIKey
    UUTBMTOBGXJTLN-UHFFFAOYSA-N
    InChI
    1S/C15H13N3O3/c1-9-2-4-10(5-3-9)18-14(16-17-15(18)21)12-7-6-11(19)8-13(12)20/h2-8,19-20H,1H3,(H,17,21)
  10. OSU-T315 analog, Inhibitor of integrin linked kinase
    CAS: 1333146-24-9 Formula: C30H30F3N5O Molecular Weight: 533.59
    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 #: O412290
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    Technical Identifiers
    IUPAC Name
    N-methyl-3-[1-(4-piperazin-1-ylphenyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propanamide
    SMILES
    CNC(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)N5CCNCC5
    InChIKey
    GHBUPSVATJKTRR-UHFFFAOYSA-N
    InChI
    1S/C30H30F3N5O/c1-34-29(39)15-10-25-20-28(38(36-25)27-13-11-26(12-14-27)37-18-16-35-17-19-37)23-4-2-21(3-5-23)22-6-8-24(9-7-22)30(31,32)33/h2-9,11-14,show more
    Synonyms
    ILK-IN-1
  11. Sodium Dichloroacetate, Pyruvate dehydrogenase kinase inhibitor
    CAS: 2156-56-1 EC Number: 218-461-3 PubChem CID: 517326 Formula: C2HCl2NaO2 Molecular Weight: 150.92
    Liquid 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 #: S422596
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    Technical Identifiers
    IUPAC Name
    sodium;2,2-dichloroacetate
    SMILES
    C(C(=O)[O-])(Cl)Cl.[Na+]
    InChIKey
    LUPNKHXLFSSUGS-UHFFFAOYSA-M
    InChI
    1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
    Synonyms
    Sodium dichloroacetate|2156-56-1|sodium 2,2-dichloroacetate|Dichloroacetic acid sodium salt|Ceresine|Dichloroacetate ...
  12. WAY-270444
    CAS: 394237-61-7 EC Number: 126-567-5 PubChem CID: 764764 Formula: C17H16N2O3 Molecular Weight: 296.32
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: W423816
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    Technical Identifiers
    IUPAC Name
    4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
    SMILES
    CC1=C(C(=NN1)C2=C(C=C(C=C2)O)O)C3=CC=C(C=C3)OC
    InChIKey
    GSBFARPNIZUMHA-UHFFFAOYSA-N
    InChI
    1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)
    Synonyms
    MS-24247 | PDHK RIKEN | Q27097572 | SMR003240242 | SR-01000443979 | AKOS002164191 | NCGC00263231-01 | AB00113935-01 |...
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Frequently Asked Questions

How is the PDHK listing put together?
It draws on reported PDHK annotations within Metabolic Enzyme/Protease 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 PDHK modulator for my assay?
Start from the assay format and readout — biochemical, cell-based, or in vivo — then compare the PDHK 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 PDHK compounds?
Purity and identity confirmation come first, then solubility in DMSO or your chosen vehicle, recommended storage temperature, and stability in solution. For PDHK 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 PDHK compound I need is not listed?
Search by CAS number or SMILES first, since analogs of PDHK 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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