Rolusafine is an antifungal compound/agent.

Physicochemical Properties

Molecular Formula	C19H18N2O2
Molecular Weight	306.358424663544
Exact Mass	306.136
CAS #	2089153-78-4
PubChem CID	126714570
Appearance	Off-white to light yellow solid powder
LogP	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	23
Complexity	344
Defined Atom Stereocenter Count	0
SMILES	O(C1C(=CC=CN=1)C1C=NC=CC=1OC)C1C=CC(=CC=1)CC
InChi Key	MSNOIIKZIMJCQU-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H18N2O2/c1-3-14-6-8-15(9-7-14)23-19-16(5-4-11-21-19)17-13-20-12-10-18(17)22-2/h4-13H,3H2,1-2H3
Chemical Name	2-(4-ethylphenoxy)-3-(4-methoxypyridin-3-yl)pyridine
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

References

[1]. WHO Drug Information-World Health Organization (WHO).

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (326.41 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (8.16 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 2: ≥ 2.5 mg/mL (8.16 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.2641 mL	16.3207 mL	32.6413 mL
	5 mM	0.6528 mL	3.2641 mL	6.5283 mL
	10 mM	0.3264 mL	1.6321 mL	3.2641 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.