Products for Research Use Only

Furafylline

CAT: 0013-GTR19167636-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167636-04Size:10 mg
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Description
Furafylline is a potent and selective inhibitor of cytochrome P450 1A2 (CYP1A2), exhibiting an IC50 of 0.07 μM. It is widely used in pharmacological research to study drug metabolism and CYP1A2-mediated interactions in both in vitro and in vivo experimental models.
CAS Number
80288-49-9
Product Name Alternative
Furafylline, inhibit, Inhibitor, CYP450, CYPs, Cytochrome P450
Field of Research
Metabolism Research
Purity
98.00% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (7.68 mM) ; DMSO:12.5 mg/mL (48.03 mM)
Smiles
Cc1nc2n (Cc3ccco3) c (=O) n (C) c (=O) c2[nH]1
Molecular Formula
C12H12N4O3
Molecular Weight
260.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Furafylline

Furafylline is an oxopurine.

CAS Number80288-49-9
PubChem CID3433
IUPAC Name3-(furan-2-ylmethyl)-1,8-dimethyl-7H-purine-2,6-dione
Molecular FormulaC12H12N4O3
Molecular Weight260.25
XLogP0.6
Topological Polar Surface Area82.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity402
SMILES
CC1=NC2=C(N1)C(=O)N(C(=O)N2CC3=CC=CO3)C
InChI
InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14)
InChIKey
KGQZGCIVHYLPBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Furafylline
CAS: 80288-49-9
CID: 3433
Formula: C12H12N4O3
MW: 260.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight260.25
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass260.09094026
Monoisotopic Mass260.09094026
Topological Polar Surface Area82.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity402
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