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CFTR corrector 6

CAT: 0013-GTR19190541-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190541-02Size:25 mg
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Description
CFTR corrector 6 is a potent small molecule CFTR potentiator used in cystic fibrosis research. It is applied in both in vitro and in vivo studies to investigate CFTR channel function and rescue mutations associated with CF and other CFTR-related disorders.
CAS Number
2226970-01-8
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
Nc1ncnc2n (Cc3cnn (c3) -c3ccccc3F) c (C#N) c (-c3cnc (nc3) C (F) (F) F) c12
Molecular Formula
C22H13F4N9
Molecular Weight
479.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CFTR corrector 6
CAS Number2226970-01-8
PubChem CID134518643
IUPAC Name4-amino-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
Molecular FormulaC22H13F4N9
Molecular Weight479.4
XLogP2.8
Topological Polar Surface Area124
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity783
SMILES
C1=CC=C(C(=C1)N2C=C(C=N2)CN3C(=C(C4=C(N=CN=C43)N)C5=CN=C(N=C5)C(F)(F)F)C#N)F
InChI
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)
InChIKey
LSTMAJPRFFZYIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CFTR corrector 6
CAS: 2226970-01-8
CID: 134518643
Formula: C22H13F4N9
MW: 479.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass479.12300410
Monoisotopic Mass479.12300410
Topological Polar Surface Area124 Ų
Heavy Atom Count35
Formal Charge0
Complexity783
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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