Structure of Sodium dichloroacetate
CAS No.: 2156-56-1
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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
Sodium dichloroacetate is a metabolic regulator in cancer cell mitochondria with anticancer activity. It reduces lactate in the tumor microenvironment by inhibiting pyruvate dehydrogenase kinase (PDHK), increases reactive oxygen species (ROS) production, promotes cancer cell apoptosis, and can act as an NKCC inhibitor.
Synonyms: DCA; Dichloroacetic acid; X-11S
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| CAS No. : | 2156-56-1 |
| Formula : | C2HCl2NaO2 |
| M.W : | 150.92 |
| SMILES Code : | O=C([O-])C(Cl)Cl.[Na+] |
| Synonyms : |
DCA; Dichloroacetic acid; X-11S
|
| MDL No. : | MFCD00070489 |
| InChI Key : | LUPNKHXLFSSUGS-UHFFFAOYSA-M |
| Pubchem ID : | 517326 |
| GHS Pictogram: |
|
| Signal Word: | Warning |
| Hazard Statements: | H302-H315-H319-H335 |
| Precautionary Statements: | P261-P305+P351+P338 |
In Vitro:
|
Cell Line
|
Concentration | Treated Time | Description | References |
| PC3 cells | 80 µM | 24 hours | To observe the effect of DCA on PC3 cells, it was found that DCA induced autophagy, increased LC3B II expression, reduced lactate excretion, and decreased kPL. | Br J Cancer. 2014 Jul 15;111(2):375-85. |
| HCT116 WT cells | 75 µM | 24 hours | To observe the effect of DCA on HCT116 WT cells, it was found that DCA induced autophagy, increased LC3B II expression, reduced lactate excretion, and decreased kPL. | Br J Cancer. 2014 Jul 15;111(2):375-85. |
| HT29 cells | 100 µM | 24 hours | To observe the effect of DCA on HT29 cells, it was found that DCA induced autophagy, increased LC3B II expression, reduced lactate excretion, and decreased kPL. | Br J Cancer. 2014 Jul 15;111(2):375-85. |
| Astroglia | 100 µM | 60 minutes | Dichloroacetate significantly stimulated glucose and lactate oxidation in astroglia, increasing glucose oxidation by 34% (P<0.01) and lactate oxidation by 36% (P<0.01), and reduced lactate release by 20% (P<0.01). | Proc Natl Acad Sci U S A. 2003 Apr 15;100(8):4879-84. |
| Neurons | 100 µM | 60 minutes | Dichloroacetate had small effects on glucose and lactate oxidation in neurons, increasing glucose oxidation by 15% (P<0.05) and lactate oxidation by 11% (statistically insignificant). | Proc Natl Acad Sci U S A. 2003 Apr 15;100(8):4879-84. |
| KYSE-410 cells | 10, 20, 40 mM | 72 hours | Analyze the effect of dichloroacetate on hyaluronan (HA) synthesis in KYSE-410 cells, showing a dose-dependent increase in HA deposition | Br J Pharmacol. 2019 Dec;176(23):4474-4490. |
In Vivo:
|
Species
|
Animal Model
|
Administration | Dosage | Frequency | Description | References |
| Nude mice | Tumor xenograft model | Oral administration in drinking water | 0.3 g/L | Daily administration for 60 days | Evaluate the antitumor effect of dichloroacetate in a nude Mice tumor xenograft model, showing significant inhibition of tumor growth | Br J Pharmacol. 2019 Dec;176(23):4474-4490. |
| Mice | Lewis lung carcinoma xenograft model | Drinking water | 1.5 g/L | 8 days | Significantly suppressed macrophage accumulation in tumor tissue | Nat Commun. 2016 May 18;7:11635 |
| NCr nude mice | HT29 xenograft model | Oral | 200 mg/kg | Once daily for 4 days | To observe the effect of DCA on HT29 xenografts, it was found that DCA induced autophagy, increased LC3B II expression, and decreased kPL. | Br J Cancer. 2014 Jul 15;111(2):375-85. |
| NSG mice | HSJD-DIPG007 xenograft model | Oral | 250 mg/kg | Twice daily until the end of the experiment | To evaluate the therapeutic effect of the triple combination of DCA, metformin, and radiation therapy on the HSJD-DIPG007 xenograft model, results showed that the triple combination significantly prolonged the survival of mice. | Neuro Oncol. 2020 Jan 11;22(1):139-151 |
| Rats | Sprague-Dawley rats | Intravenous injection | 50 mg/kg | Single dose, over 5 minutes | Dichloroacetate significantly lowered arterial plasma lactate levels (?29%, P<0.01) and glucose levels (?13% to ?18%, P<0.01), and increased baseline glucose utilization (lCMRglc) throughout the brain. Additionally, dichloroacetate reduced the percent increases in lCMRglc evoked by functional activation. | Proc Natl Acad Sci U S A. 2003 Apr 15;100(8):4879-84. |
| Nude mice | Intracranial GB and MB models | Oral | 100 mg/kg | Twice daily for 32 days (GB model) or 34 days (MB model) | Triplet therapy significantly inhibited intracranial tumor growth and extended survival in MB models. | Mol Oncol. 2023 Sep;17(9):1803-1820. |
| Bio Calculators | ||||
| Preparing Stock Solutions | ![]() |
1mg | 5mg | 10mg |
|
1 mM 5 mM 10 mM |
6.63mL 1.33mL 0.66mL |
33.13mL 6.63mL 3.31mL |
66.26mL 13.25mL 6.63mL |
|
Tags: Sodium dichloroacetate | PDHK | Reactive Oxygen Species | PDHK inhibitor | NKCC inhibitor | Apoptosis | Pyruvate dehydrogenase kinase | PDH kinase | Na-K-Cl cotransporter | Na(+)-K(+)-Cl(-) cotransporter | Na+-K+-Cl− cotransporter | pyruvate | dehydrogenase | apoptosis | 2156-56-1
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