SIRT-IN-2 is a potent inhibitor of SIRT1/2/3, with IC50s of 4, 1, and 7 μM respectively.

Physicochemical Properties

Molecular Formula	C15H21N5O3S2
Molecular Weight	383.488940000534
Exact Mass	383.108
CAS #	1431411-66-3
PubChem CID	71304815
Appearance	Yellow to brown solid powder
LogP	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	25
Complexity	574
Defined Atom Stereocenter Count	0
SMILES	S(C)(NCCC1CCN(C2=C3C(C=C(C(N)=O)S3)=NC=N2)CC1)(=O)=O
InChi Key	BKOWIHMCGFRARN-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H21N5O3S2/c1-25(22,23)19-5-2-10-3-6-20(7-4-10)15-13-11(17-9-18-15)8-12(24-13)14(16)21/h8-10,19H,2-7H2,1H3,(H2,16,21)
Chemical Name	4-[4-[2-(methanesulfonamido)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-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

ln Vitro	SIRT-IN-2 (compound 31) is a highly effective truncated pan-SIRT1/2/3 inhibitor, with IC50 values of 4, 4, and 7 μM, correspondingly. The catalytically active site (RMS=0.29 Å) of SIRT-IN-2 (SIRT1/2/3 pan-inhibitor) binds in an identical way, taking up residence in the acetyl-lysine substrate channel and the nicotinamide C-pocket [1].
References	[1]. Discovery of thieno[3,2-d]pyrimidine-6-carboxamides as potent inhibitors of SIRT1, SIRT2, and SIRT3. J Med Chem. 2013 May 9;56(9):3666-79.

Solubility Data

Solubility (In Vitro)

DMSO : ~62.5 mg/mL (~162.98 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.42 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.6076 mL	13.0381 mL	26.0763 mL
	5 mM	0.5215 mL	2.6076 mL	5.2153 mL
	10 mM	0.2608 mL	1.3038 mL	2.6076 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.