LDCA is a double-hit metabolic regulator that can inhibit LDH-A enzyme activity and stimulates apoptosis in malignant populations. LDCA may be utilized in the research/study of carcinogenesis progression.

Physicochemical Properties

Molecular Formula	C8H5CL3FNO
Molecular Weight	256.49
Exact Mass	254.942
CAS #	349106-80-5
PubChem CID	4322881
Appearance	Light yellow to yellow solid powder
LogP	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Complexity	215
Defined Atom Stereocenter Count	0
SMILES	C(NC1=CC=C(F)C(Cl)=C1)(=O)C(Cl)Cl
InChi Key	WZVDWCGCAQYINC-UHFFFAOYSA-N
InChi Code	InChI=1S/C8H5Cl3FNO/c9-5-3-4(1-2-6(5)12)13-8(14)7(10)11/h1-3,7H,(H,13,14)
Chemical Name	2,2-dichloro-N-(3-chloro-4-fluorophenyl)acetamide
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	When paired with doxorubicin, LDCA (2-100 μM; 16-72 h) works in concert to improve growth inhibition and trigger mitochondria by enlisting the caspase cascade, limiting migration, and removing the melanoma cells' capacity for clonal growth. apoptosis was mediated [1].
ln Vivo	In mouse melanoma models, LDCA (2 mg/kg, intravenously, once on day 6) in combination with doxorubicin reduces carcinogenic progression, stops tumor growth kinetics, and enhances survival [1].
Cell Assay	Cell viability assay [1] Cell Types: B16-F10 Cell Tested Concentrations: 2-100 μM Incubation Duration: 72 h Experimental Results: Inhibits cell growth, has dose-dependent cytotoxicity, and has a strong synergistic effect with LDCA. Apoptosis analysis[1] Cell Types: B16-F10 Cell Tested Concentrations: 20 μM Incubation Duration: 24 hrs (hours) Experimental Results: When cells were exposed to LDCA, it resulted in 15% death and synergistically with doxorubicin, resulting in 40% melanoma Cell death. Immunofluorescence[1] Cell Types: B16-F10 Cell Tested Concentrations: 20 μM Incubation Duration: 16 hrs (hours) Experimental Results: Demonstration that combination with doxorubicin affects cell morphology, leading to condensation and fragmentation of nuclei. Cell migration assay [1] Cell Types: B16-F10 Cell Tested Concentrations: 20 μM Incubation Duration: 16 hrs (hours) Experimental Results: Dramatically limited the migration potential of B16-F10 cells.
Animal Protocol	Animal/Disease Models: Melanoma tumor model [1] Doses: 2 mg/kg Route of Administration: 2 mg/kg, intravenous (iv) (iv)injection, once on the 6th day. Experimental Results: Combined with doxorubicin, the survival ability of mice was Dramatically improved. , reduce tumor necrosis in mice.
References	[1]. The dual-hit metabolic modulator LDCA synergistically potentiates doxorubicin to selectively combat cancer-associated hallmarks. RSC Advances, 7(84), 53322–53333. doi:10.1039/c7ra08625c.
Additional Infomation	See also: Acetamide (annotation moved to).

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~389.88 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (9.75 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (9.75 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (9.75 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.8988 mL	19.4939 mL	38.9879 mL
	5 mM	0.7798 mL	3.8988 mL	7.7976 mL
	10 mM	0.3899 mL	1.9494 mL	3.8988 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.