Drug Details

General Information of the Drug (ID: DR3335)
Name
Dichloroacetate
Synonyms
Dichloroacetate; 2,2-dichloroacetate; Dichloracetate; Dichloroacetate ion; 13425-80-4; Dichloroacetic acid ion(1-); DCA; BRN 3903873; 2q8h; ACETIC ACID, DICHLORO-, ION(1-); 2,2-bis(chloranyl)ethanoate; GTPL4518; CHEBI:28240; DTXSID40158610; STL483470; NCGC00241105-01; 68626-EP2292227A2; 68626-EP2292628A2; 68626-EP2298776A1; 68626-EP2308861A1; 68626-EP2374454A1; A839686; Q27077050
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Molecular Type
Small molecule
Disease Insulin-resistance syndrome [ICD-11: 5A44] Phase 4 [1]
Structure
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2D MOL

3D MOL

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Formula
C2HCl2O2-
PubChem CID
25975
Canonical SMILES
C(C(=O)[O-])(Cl)Cl
InChI
1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1
InChIKey
JXTHNDFMNIQAHM-UHFFFAOYSA-M
CAS Number
CAS 13425-80-4
ChEBI ID
CHEBI:28240
TTD Drug ID
D7I9JH
DrugBank ID
DB08809
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Paclitaxel      Taxus brevifolia     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Down-regulation Expression CYB5R2  Molecule Info 
Pathway MAP
                    In-vitro Model OECM-1 CVCL_6782 Gingival squamous cell carcinoma Homo sapiens
SAS CVCL_1675 Tongue squamous cell carcinoma Homo sapiens
                    Experimental
                    Result(s)		 The combination of Taxol with DCA showed synergistic inhibitory effects on Taxol resistant cells under hypoxic conditions.
Target and Pathway
Target(s) Pyruvate dehydrogenase kinase 1 (PDHK1)  Molecule Info  [3]
KEGG Pathway HIF-1 signaling pathway Click to Show/Hide
2 Axon guidance
3 Central carbon metabolism in cancer
References
Reference 1 ClinicalTrials.gov (NCT02469337) Role of Preoperative Carbohydrates Drinks, Dichloroacetate and Exercise on Postoperative Muscle Insulin Resistance (CARBEX). U.S. National Institutes of Health.
Reference 2 Combination of Taxol? and dichloroacetate results in synergistically inhibitory effects on Taxol-resistant oral cancer cells under hypoxia. Mol Med Rep. 2015 Apr;11(4):2935-40.
Reference 3 Comparison of Antitumor Effects of Combined and Separate Treatment with NO Synthase Inhibitor T1023 and PDK1 Inhibitor Dichloroacetate. Bull Exp Biol Med. 2019 Nov;168(1):92-94.
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