Navocaftor (GLPG 3067), a cystic fibrosis transmembrane regulator (CFTR), is a protein modulator (US 20200377491 Al, Example 1).

Physicochemical Properties

Molecular Formula	C15H11F3N4O5S
Molecular Weight	416.33
Exact Mass	416.04
CAS #	2159103-66-7
PubChem CID	132189640
Appearance	Light yellow to yellow solid powder
Density	1.6±0.1 g/cm3
Boiling Point	634.0±65.0 °C at 760 mmHg
Flash Point	337.2±34.3 °C
Vapour Pressure	0.0±2.0 mmHg at 25°C
Index of Refraction	1.581
LogP	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Heavy Atom Count	28
Complexity	624
Defined Atom Stereocenter Count	0
InChi Key	WOXOLLSAICIZNO-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H11F3N4O5S/c16-15(17,18)27-8-1-3-9(4-2-8)28(24,25)10-5-11(19)13(20-6-10)14-22-21-12(7-23)26-14/h1-6,23H,7,19H2
Chemical Name	[5-[3-amino-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-2-yl]-1,3,4-oxadiazol-2-yl]methanol
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	Navocaftor functions as a protein regulator by acting as the cystic fibrosis transmembrane regulator (CFTR) [1].
References	[1]. US 20200377491 Al.

Solubility Data

Solubility (In Vitro)

DMSO :< 1 mg/mL

Solubility (In Vivo)

Solubility in Formulation 1: 1.67 mg/mL (4.01 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 16.7 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: ≥ 1.67 mg/mL (4.01 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 16.7 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	2.4019 mL	12.0097 mL	24.0194 mL
	5 mM	0.4804 mL	2.4019 mL	4.8039 mL
	10 mM	0.2402 mL	1.2010 mL	2.4019 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.