AZ506 is a potent SMYD2 inhibitor (antagonist) with IC50 of 17 nM. AZ506 inhibits the activity of SMYD2 methyltransferase in cells, resulting in a reduction of SMYD2-mediated methylation signals.

Physicochemical Properties

Molecular Formula	C33H40N6O
Molecular Weight	536.710307121277
Exact Mass	536.326
CAS #	2043321-54-4
PubChem CID	122705799
Appearance	Light yellow to light brown solid powder
LogP	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	40
Complexity	781
Defined Atom Stereocenter Count	0
SMILES	O=C(C1=CN=CC(=C1)C1=CC=CC=C1N1CCN(CCC2=CNC3C=CC=CC2=3)CC1)NCCCN1CCCC1
InChi Key	VCPDGNYFXJYJFB-UHFFFAOYSA-N
InChi Code	InChI=1S/C33H40N6O/c40-33(35-13-7-16-37-14-5-6-15-37)28-22-27(23-34-24-28)30-9-2-4-11-32(30)39-20-18-38(19-21-39)17-12-26-25-36-31-10-3-1-8-29(26)31/h1-4,8-11,22-25,36H,5-7,12-21H2,(H,35,40)
Chemical Name	5-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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

Targets	SMYD2 17 nM (IC50)
ln Vitro	AZ506 has an EC50 of 1.2 μM and prevents SMYD2-mediated methylation of monomethyl p53 peptide in U2OS cells. AZ506 suppresses p53-me in U2OS cells by SMYD2-mediated methylation, with an IC50 of 2.43 μM[1].
References	[1]. Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors. J Med Chem. 2016;59(24):11079-11097.

Solubility Data

Solubility (In Vitro)

DMSO : 50 mg/mL (93.16 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.66 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 (4.66 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (4.66 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	1.8632 mL	9.3160 mL	18.6320 mL
	5 mM	0.3726 mL	1.8632 mL	3.7264 mL
	10 mM	0.1863 mL	0.9316 mL	1.8632 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.