CFTR corrector 6 is a potent cystic fibrosis transmembrane conductance regulator (CFTR) enhancer. CFTR corrector 6 may be used in research on cystic fibrosis (CF) and other CFTR-related diseases.

Physicochemical Properties

Molecular Formula	C22H13F4N9
Molecular Weight	479.39
Exact Mass	479.123
CAS #	2226970-01-8
PubChem CID	134518643
Appearance	White to off-white solid powder
LogP	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Heavy Atom Count	35
Complexity	783
Defined Atom Stereocenter Count	0
SMILES	N1(C=C(C=N1)CN1C(C#N)=C(C2=CN=C(C(F)(F)F)N=C2)C2=C1N=CN=C2N)C1C=CC=CC=1F
InChi Key	LSTMAJPRFFZYIT-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H13F4N9/c23-14-3-1-2-4-15(14)35-10-12(6-33-35)9-34-16(5-27)17(18-19(28)31-11-32-20(18)34)13-7-29-21(30-8-13)22(24,25)26/h1-4,6-8,10-11H,9H2,(H2,28,31,32)
Chemical Name	4-amino-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
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: This product requires protection from light (avoid light exposure) during transportation and storage.
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	For primary cystic fibrosis human bronchial epithelial (CF hBE) cells and fischer rat thyroid (FRT) cell lines, CFTR corrector 6 (Example 27) shows EC50s of 1.25 nM and 1.27 nM[1].
References	[1]. Pyrrolopyrimidines as cftr potentiators. WO2018094137A1.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (208.60 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (5.21 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.0860 mL	10.4299 mL	20.8598 mL
	5 mM	0.4172 mL	2.0860 mL	4.1720 mL
	10 mM	0.2086 mL	1.0430 mL	2.0860 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.