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Diphylline (Standard)

CAT: 0804-HY-B0128R-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0128R-01Size:10 mg
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Description
Diphylline (Standard) is the analytical standard of Diphylline. This product is intended for research and analytical applications. Diphylline (Diprophylline) is a potent A1/A2 adenosine receptor antagonist and cyclic nucleotide phosphodiesterase inhibitor. Diphylline, a xanthine derivative, is a bronchodilator and vasodilator agent and has the potential for chronic bronchitis and emphysema[1][2].
CAS Number
479-18-5
Product Name Alternative
Diprophylline (Standard)
UNSPSC
12352005
Target
Adenosine Receptor; Phosphodiesterase (PDE) ; Reference Standards
Type
Reference Standards
Related Pathways
GPCR/G Protein; Metabolic Enzyme/Protease; Others
Field of Research
Inflammation/Immunology; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/diphylline-standard.html
Smiles
O=C(N1C)N(C)C2=C(N(CC(O)CO)C=N2)C1=O
Molecular Formula
C10H14N4O4
Molecular Weight
254.24
References & Citations
[1]Schwabe U, et al. Xanthine derivatives as antagonists at A1 and A2 adenosine receptors. Naunyn Schmiedebergs Arch Pharmacol. 1985 Sep;330 (3) :212-21.|[2]Yosry El-said, et al. In-vitro evaluation of sustained-release dyphylline tablets. Drug Development and Industrial Pharmacy. Volume 17, 1991 - Issue 2
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Diprophylline

Dyphylline is an oxopurine that is theophylline bearing a 2,3-dihydroxypropyl group at the 7 position. It has broncho- and vasodilator properties, and is used in the treatment of asthma, cardiac dyspnea, and bronchitis. It is also an ingredient in preparations that have been promoted for coughs. It has a role as a bronchodilator agent, a vasodilator agent, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor and a muscle relaxant. It is an oxopurine and a member of propane-1,2-diols.

CAS Number479-18-5
PubChem CID3182
IUPAC Name7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
Molecular FormulaC10H14N4O4
Molecular Weight254.24
XLogP-1.8
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity364
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
InChI
InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
InChIKey
KSCFJBIXMNOVSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diprophylline
CAS: 479-18-5
CID: 3182
Formula: C10H14N4O4
MW: 254.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.24
XLogP3-1.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass254.10150494
Monoisotopic Mass254.10150494
Topological Polar Surface Area98.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity364
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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