Posenacaftor (PTI-801) sodium is a cystic fibrosis transmembrane regulatory protein (CFTR) modulator that corrects the folding and trafficking of CFTR protein. Posenacaftor sodium may be used in cystic fibrosis (CF) research.

Physicochemical Properties

Molecular Formula	C27H26NNAO5
Molecular Weight	467.49
Exact Mass	467.17
CAS #	2095064-06-3
Related CAS #	Posenacaftor;2095064-05-2
PubChem CID	135350953
Appearance	Yellow to brown solid powder
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	34
Complexity	688
Defined Atom Stereocenter Count	1
SMILES	CC1=C2C(=C(C=C1)O[C@H](C)C3CCOCC3)C(=CC(=N2)C4=C(C5=CC=CC=C5O4)C)C(=O)[O-].[Na+]
InChi Key	FIMNRWQYZVDFTK-UNTBIKODSA-M
InChi Code	InChI=1S/C27H27NO5.Na/c1-15-8-9-23(32-17(3)18-10-12-31-13-11-18)24-20(27(29)30)14-21(28-25(15)24)26-16(2)19-6-4-5-7-22(19)33-26;/h4-9,14,17-18H,10-13H2,1-3H3,(H,29,30);/q;+1/p-1/t17-;/m1./s1
Chemical Name	sodium;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[(1R)-1-(oxan-4-yl)ethoxy]quinoline-4-carboxylate
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	Posenacaftor is a CFTR corrector; correctors are proteins that are faulty in CFTR that are intended to be repaired and functionally restored. After that, the modified CFTR travels to the cell surface where it serves as a chloride channel to assist keep the fluid balance in the airways in the right position [2].
References	[1]. Compositions et procédés pour améliorer la fonction cftr dans des cellules affectées par la fibrose kystique. Patent WO2019156946. [2]. Posenacaftor (PTI-801).

Solubility Data

Solubility (In Vitro)

DMSO: 200 mg/mL (427.82 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 5 mg/mL (10.70 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 50.0 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: 5 mg/mL (10.70 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 50.0 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	2.1391 mL	10.6954 mL	21.3908 mL
	5 mM	0.4278 mL	2.1391 mL	4.2782 mL
	10 mM	0.2139 mL	1.0695 mL	2.1391 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.