SNS-314 mesylate, the mesylate salt of SNS314, is a pan-Aurora kinase inhibitor with potential antineoplastic activity. It inhibits Aurora A/B/C with IC50s of 9 nM, 31 nM, and 3 nM, respectively. SNS 314 exhibits excellent antiproliferative activity and high in vivo antitumor efficacy.

Physicochemical Properties

Molecular Formula	C18H15CLN6OS2.CH4O3S
Molecular Weight	527.04
Exact Mass	526.032
Elemental Analysis	C, 43.30; H, 3.63; Cl, 6.73; N, 15.95; O, 12.14; S, 18.25
CAS #	1146618-41-8
Related CAS #	SNS-314;1057249-41-8
PubChem CID	24995523
Appearance	White to light yellow solid powder
LogP	5.193
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Heavy Atom Count	33
Complexity	625
Defined Atom Stereocenter Count	0
SMILES	ClC1=C([H])C([H])=C([H])C(=C1[H])N([H])C(N([H])C1=NC([H])=C(C([H])([H])C([H])([H])N([H])C2C3=C(C([H])=C([H])S3)N=C([H])N=2)S1)=O.S(C([H])([H])[H])(=O)(=O)O[H]
InChi Key	FYCODPVDEFFWSR-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H15ClN6OS2.CH4O3S/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16;1-5(2,3)4/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26);1H3,(H,2,3,4)
Chemical Name	N-(3-Chlorophenyl)-N'-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-2-thiazolyl]urea mesylate
Synonyms	SNS314; SNS 314; SNS-314; SNS-314 mesylate
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: Please store this product in a sealed and protected environment, avoid exposure to moisture.
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	SNS-314 inhibits the growth of a wide range of tumor cell lines, including HeLa, PC-3, A2780, MDA-MB-231, H-1299, and HT29. The IC50 values of these cell lines range from 1.8 nM in ovarian cancer cells to 24 nM in colon cancer cells, A2780, and HT29[2].
ln Vivo	The treatment of 50 and 100 mg/kg SNS-314 causes dose-dependent suppression of histone H3 phosphorylation in the HCT116 human colon cancer xenograft model, which lasts for at least 10 hours. SNS-314 exhibits dose-dependent substantial tumor growth inhibition when administered according to a range of regimens, such as weekly, biweekly, or five days on and nine days off[2].
Animal Protocol	Dissolved in 20% Captisol R.; 42 mg/kg; i.p. injection HCT116 cells are injected s.c. into the right flank of nu/nu mice
References	[1]. Discovery of a potent and selective aurora kinase inhibitor. Bioorg Med Chem Lett. 2008 Sep 1;18(17):4880-4. [2]. SNS-314, a pan-Aurora kinase inhibitor, shows potent anti-tumor activity and dosing flexibility in vivo. Cancer Chemother Pharmacol. 2010 Mar;65(4):707-17.
Additional Infomation	See also: Sns-314 (annotation moved to).

Solubility Data

Solubility (In Vitro)

DMSO: 105 mg/mL (199.2 mM) Water: 6 mg/mL (11.4 mM) Ethanol:<1 mg/mL

Solubility (In Vivo)

Solubility in Formulation 1: 15 mg/mL (28.46 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 150.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.74 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 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (4.74 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 25.0 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 4: in 15% Captisol: ~6mg/mL (add these co-solvents sequentially from left to right, and one by one), 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	1.8974 mL	9.4869 mL	18.9739 mL
	5 mM	0.3795 mL	1.8974 mL	3.7948 mL
	10 mM	0.1897 mL	0.9487 mL	1.8974 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.