Products for Research Use Only

PPQ-102

CAT: 0013-GTR19177926-06Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19177926-06Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
PPQ-102 is a potent and selective small-molecule CFTR inhibitor, demonstrating complete blockade of the CFTR chloride channel with an IC50 of 90 nM. This tool compound is widely used in vitro to investigate CFTR function in epithelial physiology and is applied in research models of secretory diarrheas and polycystic kidney disease.
CAS Number
931706-15-9
Product Name Alternative
Polycystic kidney disease, PPQ102, PPQ-102, PPQ 102, E13.5 embryonic kidneys, Cystic fibrosis transmembrane conductance regulator, CFTR Inhibitor, CFTR, Autophagy, Inhibitor, inhibit
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Purity
≥95% (May vary between batches)
Solubility
DMSO:55 mg/mL (125.43 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.56 mM)
Smiles
Cc1ccc (o1) C1Nc2ccccc2-n2c1c1n (C) c (=O) n (C) c (=O) c1c2-c1ccccc1
Molecular Formula
C26H22N4O3
Molecular Weight
438.48
Storage Conditions
-20°C
Notes
For research use only.

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...
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