SIRT1-IN-3 (compound 3j) is a potent and specific inhibitor of SIRT1 with IC50 of 4.2 μM.

Physicochemical Properties

Molecular Formula	C13H15BRN2O
Molecular Weight	295.175002336502
Exact Mass	294.036
CAS #	2470969-91-4
PubChem CID	162646867
Appearance	White to off-white solid powder
LogP	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	17
Complexity	295
Defined Atom Stereocenter Count	0
SMILES	N1C2=C(C=C(Br)C=C2)C(C(C)C)=C1CC(N)=O
InChi Key	VBWIUUXBNGYYGO-UHFFFAOYSA-N
InChi Code	InChI=1S/C13H15BrN2O/c1-7(2)13-9-5-8(14)3-4-10(9)16-11(13)6-12(15)17/h3-5,7,16H,6H2,1-2H3,(H2,15,17)
Chemical Name	2-(5-bromo-3-propan-2-yl-1H-indol-2-yl)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	SIRT1-IN-3 (compound 3j) (0-100 μM, 48 h) exhibited low cytotoxicity and HUVEC and inhibited the growth of human cancer cell lines, such as K562, HCT-116, H460, HepG2, A549, and MCF-7[1].
Cell Assay	Cytotoxicity assay Cell Types: human cancer cell lines (K562, HCT-116, H460, HepG2, A549, HT-29, MCF-7) and normal cell lines (293T, HUVEC) [1] Tested Concentrations: 0, 0.01, 0.1 , 1, 10, 100 μM Incubation Duration: 48 h Experimental Results: Inhibited the proliferation of human cancer cell lines K562, HCT-116, H460, HepG2, A549, and MCF-7, with IC50 values of 47, 41, and 66, respectively 93 , 52 and 64 μM. demonstrated low cytotoxicity against 293T and HUVEC, with IC50 values of 49 and 45 μM, respectively.
References	[1]. Synthesis of indole inhibitors of silent information regulator 1 (SIRT1), and their evaluation as cytotoxic agents. Eur J Med Chem. 2020;202:112561.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~338.78 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (8.47 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.3878 mL	16.9388 mL	33.8776 mL
	5 mM	0.6776 mL	3.3878 mL	6.7755 mL
	10 mM	0.3388 mL	1.6939 mL	3.3878 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.