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PPQ-102

CAT: 0013-GTR19160754-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19160754-03Size:1 g
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Description
PPQ-102 is a potent CFTR inhibitor which can completely inhibited CFTR chloride current with IC 50approximately 90 nM.
CAS Number
931706-15-9
Product Name Alternative
CFTR Inhibitor IV | Cystic Fibrosis Transmembrane Conductance Regulator Inhibitor IV
Purity
>98% (HPLC)
Solubility
DMSO: 5 mg/mL
Smiles
O=C1N (C) C (C (C (N1C) =O) =C2C3=CC=CC=C3) =C4N2C5=C (C=CC=C5) NC4C6=CC=C (C) O6
Molecular Formula
C26H22N4O3
Molecular Weight
438.48
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
7,9-dimethyl-6- (5-methylfuran-2-yl) -11-phenyl-5,6-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10 (7H,9H) -dione

Chemical Information

7,9-dimethyl-6-(5-methylfuran-2-yl)-11-phenyl-5,6-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione
CAS Number931706-15-9
PubChem CID16016583
IUPAC Name12,14-dimethyl-9-(5-methylfuran-2-yl)-17-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
Molecular FormulaC26H22N4O3
Molecular Weight438.5
XLogP3.7
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count33
Formal Charge0
Complexity785
SMILES
CC1=CC=C(O1)C2C3=C4C(=C(N3C5=CC=CC=C5N2)C6=CC=CC=C6)C(=O)N(C(=O)N4C)C
InChI
InChI=1S/C26H22N4O3/c1-15-13-14-19(33-15)21-24-23-20(25(31)29(3)26(32)28(23)2)22(16-9-5-4-6-10-16)30(24)18-12-8-7-11-17(18)27-21/h4-14,21,27H,1-3H3
InChIKey
MNOOVRNGPIWJDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7,9-dimethyl-6-(5-methylfuran-2-yl)-11-phenyl-5,6-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione
CAS: 931706-15-9
CID: 16016583
Formula: C26H22N4O3
MW: 438.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass438.16919058
Monoisotopic Mass438.16919058
Topological Polar Surface Area70.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity785
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B3504-100PPQ-102
MBS130413-01PPQ 102
A13000-25PPQ-102 25mg
A13000-2PPQ-102 2mg
A13000-100PPQ-102 100mg
A13000-50PPQ-102 50mg
A13000-10PPQ-102 10mg
A13000-5PPQ-102 5mg
A13000-1PPQ-102 1mg
GMB70615-01CFTR Inhibitor IV, PPQ-102

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