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Sodium dichloroacetate

CAT: 0804-HY-Y0445A-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0445A-01Size:100 mg
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Description
Sodium dichloroacetate is an orally active pyruvate dehydrogenase kinase (PDK) inhibitor. Sodium dichloroacetate also stimulates pyruvate dehydrogenase (PDH) activity and works as a Na+-K+-2Cl− cotransporter (NKCC) inhibitor. Sodium dichloroacetate prevents the phosphorylation of the E1α subunit of PDC, promoting the entry of pyruvate into the mitochondria for oxidative metabolism, reducing lactate production, and simultaneously increasing the production of reactive oxygen species (ROS) . Sodium dichloroacetate inhibits tumor cell proliferation and induces apoptosis. Sodium dichloroacetate is promising for research of cancers[1][2].
CAS Number
2156-56-1
UNSPSC
12352211
Hazard Statement
H315, H319, H335, H351
Target
Apoptosis; NKCC; PDHK; PDK-1; Reactive Oxygen Species (ROS)
Type
Reference compound
Related Pathways
Apoptosis; Immunology/Inflammation; Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease; NF-κB; PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/sodium-dichloroacetate.html
Purity
99.78
Solubility
H2O : 100 mg/mL (ultrasonic)
Smiles
O=C(O[Na])C(Cl)Cl
Molecular Formula
C2HCl2NaO2
Molecular Weight
150.92
Precautions
H315, H319, H335, H351
References & Citations
[1]Stakišaitis D, et al. The Importance of Gender-Related Anticancer Research on Mitochondrial Regulator Sodium Dichloroacetate in Preclinical Studies In Vivo. Cancers (Basel) . 2019 Aug 20;11 (8) . pii: E1210.|[2]Hossain M, et al. Cytotoxic derivatives of dichloroacetic acid and some metal complexes. Arch Pharm (Weinheim) . 2022 Nov;355 (11) :e2200236.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Sodium Dichloroacetate

Sodium Dichloroacetate is the sodium salt of dichloroacetic acid with potential antineoplastic activity. Dichloroacetate ion inhibits pyruvate dehydrogenase kinase, resulting in the inhibition of glycolysis and a decrease in lactate production. This agent may stimulate apoptosis in cancer cells by restoring normal mitochondrial-induced apoptotic signaling.

CAS Number2156-56-1
PubChem CID517326
IUPAC Namesodium 2,2-dichloroacetate
Molecular FormulaC2HCl2NaO2
Molecular Weight150.92
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity64
SMILES
C(C(=O)[O-])(Cl)Cl.[Na+]
InChI
InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
InChIKey
LUPNKHXLFSSUGS-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium Dichloroacetate
CAS: 2156-56-1
CID: 517326
Formula: C2HCl2NaO2
MW: 150.92
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.92
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass149.9251289
Monoisotopic Mass149.9251289
Topological Polar Surface Area40.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity64.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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