SIRT-IN-3 is a potent SIRT inhibitor (antagonist) with IC50 of 17 μM against SIRT1. The selectivity of SIRT-IN-3 for SIRT1 is 4 times and 14 times that of SIRT-2 and SIRT3 respectively (IC50 for SIRT2=74 μM; IC50 for SIRT3=235 μM).

Physicochemical Properties

Molecular Formula	C13H12N2O
Molecular Weight	212.25
Exact Mass	212.095
CAS #	1211-19-4
PubChem CID	96455
Appearance	White to yellow solid powder
Density	1.218g/cm3
Boiling Point	413.3ºC at 760 mmHg
Flash Point	203.8ºC
Vapour Pressure	4.84E-07mmHg at 25°C
Index of Refraction	1.663
LogP	3.302
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Complexity	236
Defined Atom Stereocenter Count	0
InChi Key	JKWQUMKCVDUICQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C13H12N2O/c14-13(16)11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-9,15H,(H2,14,16)
Chemical Name	2-anilinobenzamide
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 Note: This product requires protection from light (avoid light exposure) during transportation and storage.
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 HCT116 cells, SIRT-IN-3 (Compound 7) (30-300 μM; 8 hours) acetates the p53 gene[1].
References	[1]. 2-Anilinobenzamides as SIRT inhibitors. ChemMedChem. 2006 Oct;1(10):1059-62.

Solubility Data

Solubility (In Vitro)

DMSO : 250 mg/mL (1177.86 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (9.80 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 20.8 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: ≥ 2.08 mg/mL (9.80 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 20.8 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: ≥ 2.08 mg/mL (9.80 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 20.8 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	4.7114 mL	23.5571 mL	47.1143 mL
	5 mM	0.9423 mL	4.7114 mL	9.4229 mL
	10 mM	0.4711 mL	2.3557 mL	4.7114 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.