CAS Number2156-56-1
SynonymsAcetic acid, 2,2-dichloro-, sodium salt (1:1); EINECS 218-461-3; MFCD00070489; Cpc 211; sodium salt of dichloroacetate; Sodium dichloroacetate [USAN]; Natriumdichloracetat; dichloroacetate de sodium; ACETIC ACID,DICHLORO-,SODIUM SALT; Sodium dichloroacetate; Dichloroctan sodny [Czech]; dichloroacetic acid sodium salt; sodium dichlroacetate; dichloroacetate sodium salt; Sodium 2,2-dichloroacetate
Molecular FormulaCl2CHCO2Na
Molecular Weight150.92
Purity98%
Boiling Point194ºC at 760mmHg
Melting Point198 °C (dec.) (lit.)
Appearancewhite powder
EINECS218-461-3
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2156-56-1 |
| Catalog No. | 2A-9028071 |
| Chinese Name | 二氯乙酸钠 |
| Synonyms | Acetic acid, 2,2-dichloro-, sodium salt (1:1); EINECS 218-461-3; MFCD00070489; Cpc 211; sodium salt of dichloroacetate; Sodium dichloroacetate [USAN]; Natriumdichloracetat; dichloroacetate de sodium; ACETIC ACID,DICHLORO-,SODIUM SALT; Sodium dichloroacetate; Dichloroctan sodny [Czech]; dichloroacetic acid sodium salt; sodium dichlroacetate; dichloroacetate sodium salt; Sodium 2,2-dichloroacetate |
| Molecular Formula | Cl2CHCO2Na |
| Molecular Weight | 150.92 |
| Purity | 98 |
| Boiling Point | 194ºC at 760mmHg |
| Melting Point | 198 °C (dec.) (lit.) |
| Appearance | white powder |
| Water Solubility | soluble in cold water |
| Storage Condition | The storage place must be away from oxidants, wate |
| Application | Sodium dichloroacetate is a metabolic regulator in the mitochondria of cancer cells and has anti-cancer activity. Sodium dichloroacetate inhibits PDHK, resulting in reduced lactate in the tumor microe |
| EINECS | 218-461-3 |
| HTC | 2942000000 |
| PubChem ID | 24861527 |
| MDL Number | MFCD00070489 |
| SMILES | [Na+].[O-]C(=O)C(Cl)Cl |
| InChI | 1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1 |
| InChI Key | LUPNKHXLFSSUGS-UHFFFAOYSA-M |
| NACRES Code | NA.22 |
| UNSPSC | 12352302 |
| Hazard Symbols | transportation |
| MSDS | msds/28071_1_2156_56_1.pdf |
| Bioactivity | Sodium dichloroacetate is a metabolic regulator in cancer cells' mitochondria with anticancer activity. Sodium dichloroacetate inhibits PDHK, resulting in decreased lactic acid in the tumor microenvironment. Sodium dichloroacetate increases reactive oxygen species (ROS) generation and promotes cancer cell apoptosis. Sodium dichloroacetate also works as NKCC inhibitor[1]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> PDHK Signaling Pathways >> Apoptosis >> Apoptosis Research Areas >> Cancer Signaling Pathways >> Membrane Transporter/Ion Channel >> NKCC Target PDHK; Reactive oxygen species (ROS); Apoptosis; NKCC[1] In Vitro Sodium dichloroacetate increases ROS generation in mitochondria. Sodium dichloroacetate affects cell growth and viability through the ROS production increase derived from the promotion of oxidative metabolism. The effects of Sodium dichloroacetate on multiple myeloma cell viability, cell cycle arrest, and apoptotic cell death were associated with pyruvate dehydrogenase kinases (PDK) inhibition, restored pyruvate dehydrogenase (PDH) activity, and the promotion of oxidative metabolism in association with increased intracellular ROS production which depends on the Sodium dichloroacetate dose. The Sodium dichloroacetate effects cooperated with C I inhibition promoting the oxidative stress in rat VM-M3 glioblastoma cells. Increased ROS levels in Sodium dichloroacetate-treated cancer cells are related to the induction of apoptosis associated with the increased cytochrome c expression. Sodium dichloroacetate causes ROS-dependent T-cell differentiation[1]. In Vivo The NKCC1 RNA expression levels in Sodium dichloroacetate-treated gonad-intact and castrated males are significantly decreased, and no such effect is determined in the gonad-intact and castrated female Sodium dichloroacetate-treated rats[1]. A single Sodium dichloroacetate dose causes a significantly higher 24 h diuresis in Wistar male rats, and the increased diuresis is related to NKCC2 inhibition. The NKCC2 is more abundant in kidneys of intact females compared to intact males, with a greater transporter density in Sprague-Dawley female rats[1]. The oral Sodium dichloroacetate bioavailability in naïve male rats dosed 5, 20 and 100 mg/kg is significantly lower than in GSTζ-depleted ones (10%, 13%, 81% and 31%, 75%, 100%, respectively). The liver extraction of Sodium dichloroacetate in the GSTζ-depleted rats has linear kinetics, but it decreases with the metabolism saturation at higher doses[1]. References [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. Chemical & Physical Properties Boiling Point 194ºC at 760mmHg Melting Point 198 °C (dec.)(lit.) Molecular Formula C2HCl2NaO2 Molecular Weight 150.924 Exact Mass 149.925125 PSA 40.13000 Vapour Pressure 0.196mmHg at 25°C InChIKey LUPNKHXLFSSUGS-UHFFFAOYSA-M SMILES O=C([O-])C(Cl)Cl.[Na+] Storage condition Desiccate at RT Water Solubility soluble in cold water |
| Use of | Sodium dichloroacetate is a metabolic regulator in cancer cells' mitochondria with anticancer activity. Sodium dichloroacetate inhibits PDHK, resulting in decreased lactic acid in the tumor microenvironment. Sodium dichloroacetate increases reactive oxygen species (ROS) generation and promotes cancer cell apoptosis. Sodium dichloroacetate also works as NKCC inhibitor[1]. Properties Name sodium,2,2-dichloroacetate Synonym More Synonyms Sodium Dichloroacetate Biological Activity Description Sodium dichloroacetate is a metabolic regulator in cancer cells' mitochondria with anticancer activity. Sodium dichloroacetate inhibits PDHK, resulting in decreased lactic acid in the tumor microenvironment. Sodium dichloroacetate increases reactive oxygen species (ROS) generation and promotes cancer cell apoptosis. Sodium dichloroacetate also works as NKCC inhibitor[1]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> PDHK Signaling Pathways >> Apoptosis >> Apoptosis Research Areas >> Cancer Signaling Pathways >> Membrane Transporter/Ion Channel >> NKCC PDHK; Reactive oxygen species (ROS); Apoptosis; NKCC[1] References [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. Chemical & Physical Properties Molecular Formula C2HCl2NaO2 Exact Mass 149.925125 PSA 40.13000 InChIKey LUPNKHXLFSSUGS-UHFFFAOYSA-M SMILES O=C([O-])C(Cl)Cl.[Na+] Storage condition Desiccate at RT Water Solubility soluble in cold water |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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