DC_AC50 is a dual (bifunctional) inhibitor of Atox1 and CCS (copper chaperone). Inhibition of intracellular copper chaperones may serve as a strategy to reduce/prevent acquired chemoresistance.

Physicochemical Properties

Molecular Formula	C17H12BRF2N3OS
Molecular Weight	424.26
Exact Mass	422.985
Elemental Analysis	C, 48.13; H, 2.85; Br, 18.83; F, 8.96; N, 9.90; O, 3.77; S, 7.56
CAS #	497061-48-0
PubChem CID	1025330
Appearance	White to off-white solid powder
LogP	5.314
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	25
Complexity	530
Defined Atom Stereocenter Count	0
SMILES	BrC1=C([H])C(=C([H])C(=C1N([H])C(C1=C(C2=C(N=C3C([H])([H])C([H])([H])C([H])([H])C3=C2[H])S1)N([H])[H])=O)F)F
InChi Key	DFNOJNBNTVQPCA-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H12BrF2N3OS/c18-10-5-8(19)6-11(20)14(10)23-16(24)15-13(21)9-4-7-2-1-3-12(7)22-17(9)25-15/h4-6H,1-3,21H2,(H,23,24)
Chemical Name	6-amino-N-(2-bromo-4,6-difluorophenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
Synonyms	DCAC50; DC AC50; DC_AC50
HS Tariff Code	2934.99.03.00
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	In Canine Abrams, Canine D1, human HOS, and human MG63) cells, the IC50 values of DC_AC50 are 9.88 μM, 12.57 μM, 5.96 μM, and 6.68 μM, respectively[1]. Significant mitotic activity was seen in cells treated with DC_AC50 (0-10 μM). DC_AC50 (10 μM) decreased colony formation and increased OSA cells caused by carboplatin [1]. DC_AC50 at dosages of 3 μM and 10 μM. Canine and human OSA cells are inhibited in their migration by DC_AC50 (3 μM) [1]. DC_AC50 (2.5–10 μM) in a way that is depending on dosage. Adenocarcinoma cells (blank K562 cells, MDA-MB-231 breast cancer cells, H1299 human lung cancer cells, and 212LN head and neck cancer cells) are inhibited. Using human normal epithelial lung BEAS-2B or mammary gland cell MCF-10A as control cells, the DC_AC50 cell viability experiment was conducted [1].
Cell Assay	Cell Viability Assay[1] Cell Types: Canine OSA (Abrams, D1 and human OSA (HOS, MG63) cells. Tested Concentrations: 0-10 μM. Incubation Duration: 72 h. Experimental Results: Dose-dependently diminished viability of OSA cells. Apoptosis analysis[1] Cell Types: Abrams and HOS cells. Tested Concentrations: 1, 3 and 10 μM (10 μM Carboplatin). Incubation Duration: 24 h. Experimental Results: Potentiated carboplatin-induced apoptosis.
References	[1]. Inhibition of copper chaperones sensitizes human and canine osteosarcoma cells to carboplatin chemotherapy. Vet Comp Oncol. 2020 Dec;18(4):559-569. [2]. Inhibition of human copper trafficking by a small molecule significantly attenuates cancer cell proliferation. Nat Chem. 2015 Dec;7(12):968-79.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~117.85 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.89 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 (5.89 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	2.3570 mL	11.7852 mL	23.5705 mL
	5 mM	0.4714 mL	2.3570 mL	4.7141 mL
	10 mM	0.2357 mL	1.1785 mL	2.3570 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.