SQ609 is a lead compound from the dipiperidine library. SQ609 inhibits more than 90% of intracellular bacterial growth at 4 μg/ml and is toxic to these cells. SQ609 displays potent anti-tuberculosis activity.

Physicochemical Properties

Molecular Formula	C22H38N2O
Molecular Weight	346.549926280975
Exact Mass	346.298
CAS #	627052-25-9
PubChem CID	9841182
Appearance	Typically exists as solid at room temperature
LogP	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	25
Complexity	421
Defined Atom Stereocenter Count	0
InChi Key	YUBKDPOCUHUSLW-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H38N2O/c25-21-3-7-23(8-4-21)15-17-1-5-24(6-2-17)16-22-12-18-9-19(13-22)11-20(10-18)14-22/h17-21,25H,1-16H2
Chemical Name	1-[[1-(1-adamantylmethyl)piperidin-4-yl]methyl]piperidin-4-ol
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	SQ609 is toxic to Mtb-infected macrophages and, at 4μg/ml, inhibits more than 90% of intracellular bacterial growth[1].
ln Vivo	In Mtb-infected rats, SQ609 (10 mg/kg; intravenous injection) totally stops weight loss and extends the therapeutic benefit for an additional 10–15 days after drug withdrawal[1].
Animal Protocol	Animal/Disease Models: TB susceptible mice (C3H/He)[1] Doses: 10 mg/kg Route of Administration: Iv Experimental Results: Prevented weight loss in the Mtb-infected animals and prolonged the therapeutic effect following drug withdrawal for another 10 -15 days.
References	[1]. Bogatcheva E, et al. Identification of SQ609 as a lead compound from a library of dipiperidines. Bioorg Med Chem Lett. 2011;21(18):5353-5357.

Solubility Data

Solubility (In Vitro)

DMSO : 6.67 mg/mL (19.25 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.67 mg/mL (1.93 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 6.7 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 2: ≥ 0.67 mg/mL (1.93 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 6.7 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	2.8856 mL	14.4279 mL	28.8559 mL
	5 mM	0.5771 mL	2.8856 mL	5.7712 mL
	10 mM	0.2886 mL	1.4428 mL	2.8856 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.