Drug Details

General Information of the Drug (ID: DR5481)
Name
3-bromopyruvate
Synonyms
3-bromopyruvic acid; bromopyruvic acid; 1113-59-3; 3-bromo-2-oxopropanoic acid; 3-Bromo-2-oxopropionic acid; bromopyruvate; 3-bromopyruvate; Bromopyruvicacid; Pyruvic acid, bromo-; Propanoic acid, 3-bromo-2-oxo-; UNII-63JMV04GRK; MFCD00002587; .beta.-Bromopyruvic acid; 63JMV04GRK; 3-bromo-2-oxo-propionic acid; C3H3BrO3; 3-BrPA; EINECS 214-206-5; NSC 11731; NSC 62343; BRN 1746786; BPV; bromo-2-oxopropanoic acid; ACMC-1C0WT; SCHEMBL8126; NCIOpen2_000241; 3-BP; 3-bromo-2-keto-propionic acid; CHEMBL177837; 3-Bromo-2-oxopropanoic acid #; 3-Bromopyruvic acid hydrate,98; DTXSID7040940; CHEBI:95046; CHEBI:131461; Hexokinase II Inhibitor II;3-BP; HMS3741K19; HMS3866H13; ACT09279; NSC11731; NSC62343; ZINC1718542; ANW-43645; NSC-11731; NSC-62343; NSC782120; s5426; SBB053571; Bromopyruvic acid, >=97.0% (T); AKOS015892643; AM84337; CCG-266336; CS-5517; MCULE-4768170572; NSC-782120; AS-16146; DA-15474; HY-19992; S691; AK00558616; B1153; FT-0623262; ST51037166; EN300-67360; A-2150; Bromopyruvic acid; 3-bromo-2-oxopropanoic acid; J-511892; J-650255; Q3608257; BRD-K92980438-001-01-7; Hexokinase II Inhibitor II, 3-BP - CAS 1113-59-3; Z2690354216
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Molecular Type
Small molecule
Disease Solid tumour/cancer [ICD-11: 2A00-2F9Z] Investigative [1]
Structure
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2D MOL

3D MOL

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Formula
C3H3BrO3
PubChem CID
70684
Canonical SMILES
C(C(=O)C(=O)O)Br
InChI
1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)
InChIKey
PRRZDZJYSJLDBS-UHFFFAOYSA-N
CAS Number
CAS 1113-59-3
ChEBI ID
CHEBI:95046
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Delphinidin      Aristotelia chilensis     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
                    Biological
                    Regulation		 Up-regulation ROS generation
                    In-vitro Model PEO1 CVCL_2686 BRCA2 syndrome Homo sapiens
SK-OV-3 CVCL_0532 Ovarian serous cystadenocarcinoma Homo sapiens
                    Experimental
                    Result(s)		 Delphinidin increases the sensitivity of ovarian cancer cell lines to 3-bromopyruvate.
          Methyl jasmonate      Jasminum     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 [3]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vitro Model 4T1 CVCL_0125 Malignant neoplasms Mus musculus
                    In-vivo Model BALB/c inbred female mice were used in this study.
                    Experimental
                    Result(s)		 This combination therapy didn't have any noticeable side effects on kidney, liver, and immune system and body weight.
Target and Pathway
Target(s) Microtubule-associated protein 1S (MAP1S)  Molecule Info  [4]
References
Reference 1 The Anticancer Drug 3-Bromopyruvate Induces DNA Damage Potentially Through Reactive Oxygen Species in Yeast and in Human Cancer Cells. Cells. 2020 May 8;9(5):1161.
Reference 2 Delphinidin Increases the Sensitivity of Ovarian Cancer Cell Lines to 3-Bromopyruvate. Int J Mol Sci. 2021 Jan 12;22(2):709.
Reference 3 Effect of methyl jasmonate and 3-bromopyruvate combination therapy on mice bearing the 4 T1 breast cancer cell line. J Bioenerg Biomembr. 2020 Apr;52(2):103-111.
Reference 4 Involvement of AMP-activated protein kinase in mediating pyrrolo-1,5-benzoxazepine-induced apoptosis in neuroblastoma cells. Invest New Drugs. 2016 Oct;34(5):663-76.
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