ACA-28 (compound 2a) is a potent modulator of ERK MAPK signaling. ACA-28 causes apoptosis through excessive activation of ERK and selectively inhibits cancer/tumor cell growth. ACA-28 suppresses the growth of melanoma cells (SK-MEL-28) and normal melanocytes (NHEM) with IC50s of 5.3 and 10.1 μM, respectively.

Physicochemical Properties

Molecular Formula	C17H16O6
Molecular Weight	316.305345535278
Exact Mass	316.094
CAS #	948044-25-5
PubChem CID	44574021
Appearance	White to off-white solid powder
LogP	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	23
Complexity	383
Defined Atom Stereocenter Count	0
InChi Key	UZLVJKSHIATGCE-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H16O6/c1-20-16(18)22-14-10-8-13(9-11-14)15(23-17(19)21-2)12-6-4-3-5-7-12/h3-11,15H,1-2H3
Chemical Name	[4-[methoxycarbonyloxy(phenyl)methyl]phenyl] methyl carbonate
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

References

[1]. Discovery of new benzhydrol biscarbonate esters as potent and selective apoptosis inducers of human melanomas bearing the activated ERK pathway: SAR studies on an ERK MAPK signaling modulator, ACA-28. Bioorg Chem. 2020 Oct;103:104137.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~316.15 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.90 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 (7.90 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 (7.90 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	3.1615 mL	15.8073 mL	31.6146 mL
	5 mM	0.6323 mL	3.1615 mL	6.3229 mL
	10 mM	0.3161 mL	1.5807 mL	3.1615 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.