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Pentoxifylline

CAT: 0931-T0070-04Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-T0070-04Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6493-05-6
Target
PDE, HIV Protease, Autophagy, Adenosine Receptor
Related Pathways
Proteases/Proteasome, Neuroscience, Microbiology/Virology, Metabolism, Autophagy, GPCR/G Protein
Purity
0.9996
Bioactivity
Pentoxifylline (PTX) modulates immunologic activity by stimulating cytokine production. Pentoxifylline is a methylxanthine derivative that inhibits phosphodiesterase and affects blood rheology. It also inhibits platelet aggregation and improves blood flow by increasing erythrocyte and leukocyte flexibility.
Smiles
O=C1C2=C(N(C)C(=O)N1CCCCC(C)=O)N=CN2C
Molecular Formula
C13H18N4O3
Molecular Weight
278.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pentoxifylline

Pentoxifylline is an oxopurine.

CAS Number6493-05-6
PubChem CID4740
IUPAC Name3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
Molecular FormulaC13H18N4O3
Molecular Weight278.31
XLogP0.3
Topological Polar Surface Area75.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity426
SMILES
CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
InChI
InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
InChIKey
BYPFEZZEUUWMEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentoxifylline
CAS: 6493-05-6
CID: 4740
Formula: C13H18N4O3
MW: 278.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.31
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass278.13789045
Monoisotopic Mass278.13789045
Topological Polar Surface Area75.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity426
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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