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Doxofylline

CAT: 0804-HY-B0004-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-B0004-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Doxofylline is an orally active PDE IV inhibitor and A1AR antagonist. Doxofylline reduces inflammation in epithelial cells via inhibiting mitochondrial ROS production and amelioration of multiple cellular pathways (NLRP3-TXNIP inflammasome activation) . Doxophylline can be used in studies of asthma, chronic obstructive pulmonary disease, and bronchospasm[1][2][3].
CAS Number
69975-86-6
UNSPSC
12352005
Hazard Statement
H302
Target
Adenosine Receptor; Phosphodiesterase (PDE) ; Reactive Oxygen Species (ROS)
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/Doxofylline.html
Purity
99.97
Solubility
DMSO : 50 mg/mL (ultrasonic) |H2O : 25 mg/mL (ultrasonic)
Smiles
O=C(N1C)N(C)C2=C(N(CC3OCCO3)C=N2)C1=O
Molecular Formula
C11H14N4O4
Molecular Weight
266.25
Precautions
H302
References & Citations
[1]Jiao P, et al. The protective effect of doxofylline against lipopolysaccharides (LPS) -induced activation of NLRP3 inflammasome is mediated by SIRT1 in human pulmonary bronchial epithelial cells. Artif Cells Nanomed Biotechnol. 2020 Dec;48 (1) :687-694. |[2]Riffo-Vasquez Y, et al. Doxofylline, a novofylline inhibits lung inflammation induced by lipopolysacharide in the mouse. Pulm Pharmacol Ther. 2014 Apr;27 (2) :170-8.|[3]Shukla D, et al. Doxofylline: a promising methylxanthine derivative for the treatment of asthma and chronic obstructive pulmonary disease. Expert Opin Pharmacother. 2009 Oct;10 (14) :2343-56.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Doxofylline

Doxofylline is an oxopurine that is a derivative of xanthine, methylated at N-1 and N-3 and carrying a 1,3-dioxolan-2-ylmethyl group at N-7, used in the treatment of asthma. It has a role as a bronchodilator agent, an anti-asthmatic drug and an antitussive. It is functionally related to a 7H-xanthine.

CAS Number69975-86-6
PubChem CID50942
IUPAC Name7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
Molecular FormulaC11H14N4O4
Molecular Weight266.25
XLogP-0.9
Topological Polar Surface Area76.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity398
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3
InChI
InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3
InChIKey
HWXIGFIVGWUZAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Doxofylline
CAS: 69975-86-6
CID: 50942
Formula: C11H14N4O4
MW: 266.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.25
XLogP3-0.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass266.10150494
Monoisotopic Mass266.10150494
Topological Polar Surface Area76.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity398
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
FD65012-01Doxofylline
CS-T-100367Doxofylline-d4
CS-O-16914Doxofylline-d6

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