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Furafylline

CAT: 0931-T7410-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T7410-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
80288-49-9
Target
Cytochromes P450
Related Pathways
Metabolism
Purity
0.9961
Bioactivity
Furafylline is a selective inhibitor of human cytochrome P450 (CYP) 1A2 (IC50 : 0.07 μM)
Smiles
Cc1nc2n(Cc3ccco3)c(=O)n(C)c(=O)c2[nH]1
Molecular Formula
C12H12N4O3
Molecular Weight
260.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
MBS3610746-01Furafylline
450979Furafylline-d3
A17085-25Furafylline 25mg
A17085-1Furafylline 1mg
A17085-200Furafylline 200mg
HY-107204R-01Furafylline (Standard)
A17085-10Furafylline 10mg
A17085-100Furafylline 100mg

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