SRT3109 (SRT-3109) is a novel and potent antagonist of CXCR2 (C-X-C chemokine receptor type 2) with potential anti-Inflammatory and immunomodulatory activity. It is used in the study of chemokine-mediated diseases and inhibits CXCR2 with a pIC50 of 8.2. Integral membrane proteins called CXCRs, or CXC chemokine receptors, are selectively bind to and react to members of the CXC chemokine family of cytokines. Seven transmembrane (7-TM) proteins, so named because they span the cell membrane seven times, are a large family of G protein-linked receptors that comprise one subfamily of chemokine receptors. CXCR1 through CXCR7 are the seven CXC chemokine receptors that are currently recognized in mammals. The CXC motif of CXC chemokines that have an E-L-R amino acid motif right next to it are recognized by the closely related receptors CXCR1 and CXCR2.

Physicochemical Properties

Molecular Formula	C18H23F2N5O4S2
Molecular Weight	475.53
Exact Mass	475.115
Elemental Analysis	C, 45.46; H, 4.88; F, 7.99; N, 14.73; O, 13.46; S, 13.48
CAS #	1204707-71-0
Related CAS #	1204707-71-0
PubChem CID	44602493
Appearance	White to off-white solid powder
Density	1.6±0.1 g/cm3
Boiling Point	726.6±70.0 °C at 760 mmHg
Flash Point	393.3±35.7 °C
Vapour Pressure	0.0±2.5 mmHg at 25°C
Index of Refraction	1.661
LogP	2.07
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	10
Heavy Atom Count	31
Complexity	670
Defined Atom Stereocenter Count	2
SMILES	FC1=C(F)C=CC=C1CSC2=NC(NS(=O)(N3CCC3)=O)=CC(N[C@@H]([C@@H](O)CO)C)=N2
InChi Key	QVKPEMXUBULFBM-RISCZKNCSA-N
InChi Code	InChI=1S/C18H23F2N5O4S2/c1-11(14(27)9-26)21-15-8-16(24-31(28,29)25-6-3-7-25)23-18(22-15)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,26-27H,3,6-7,9-10H2,1H3,(H2,21,22,23,24)/t11-,14+/m1/s1
Chemical Name	N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2R,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamide
Synonyms	SRT-3109; SRT3109; SRT 3109
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	CXCR2 ( pIC50 = 8.2 )
ln Vitro	SRT3109 (Example 1) is a CXCR2 antagonist that is used in the study of chemokine-mediated diseases. It has a pIC50 of 8.2.[1]
References	[1]. Pyrimidyl sulfonaminde derivative and its use for the treatment of chemokine mediated diseases. WO2010007427A1

Solubility Data

Solubility (In Vitro)

DMSO: ~10 mM Water: < 1 mg/mL Ethanol: < 1 mg/mL

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.75 mg/mL (5.78 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 27.5 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: ≥ 2.75 mg/mL (5.78 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 27.5 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: ≥ 2.75 mg/mL (5.78 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 27.5 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	2.1029 mL	10.5146 mL	21.0292 mL
	5 mM	0.4206 mL	2.1029 mL	4.2058 mL
	10 mM	0.2103 mL	1.0515 mL	2.1029 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.