MLS0315771 is a potent, competitive inhibitor of mannose phosphate isomerase (MPI) with IC50 of ~1 μM and Ki of 1.4 μM.

Physicochemical Properties

Molecular Formula	C15H12FNOS
Molecular Weight	273.32528591156
Exact Mass	273.062
CAS #	727664-91-7
PubChem CID	1510389
Appearance	Off-white to yellow solid powder
LogP	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	19
Complexity	364
Defined Atom Stereocenter Count	0
InChi Key	GRGDWLDSVPJEJU-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H12FNOS/c1-9-3-4-10(2)13(7-9)17-15(18)12-6-5-11(16)8-14(12)19-17/h3-8H,1-2H3
Chemical Name	2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one
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	MLS0315771 Increases mannose mobility toward glycosylation. The toxicity of MLS0315771 at greater concentrations is an off-target impact. MLS0315771 is harmful to zebrafish embryos above 2 μM. At 8-10 μM, nearly 50% of embryos become sick within 20 minutes, with the majority dying within 30-60 minutes [1].
References	[1]. Sharma V, et al. Phosphomannose isomerase inhibitors improve N-glycosylation in selected phosphomannomutase-deficient fibroblasts. J Biol Chem. 2011 Nov 11;286(45):39431-8.
Additional Infomation	2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one is a member of benzothiazoles.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~365.86 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (9.15 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 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 2: 2.5 mg/mL (9.15 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.6586 mL	18.2929 mL	36.5858 mL
	5 mM	0.7317 mL	3.6586 mL	7.3172 mL
	10 mM	0.3659 mL	1.8293 mL	3.6586 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.