Theophylline

• CAS: 58-55-9
• Catalog Number: ACM58559
• Category: Inhibitors
• Molecular Weight: 180.16
• Molecular Formula: C7H8N4O2
• Description: Theophylline (1,3-Dimethylxanthine) is a potent phosphodiesterase (PDE) inhibitor, adenosine receptor antagonist, and histone deacetylase (HDAC) activator. Theophylline (1,3-Dimethylxanthine) inhibits PDE3 activity to relax airway smooth muscle. Theophylline (1,3-Dimethylxanthine) has anti-inflammatory activity by increase IL-10 and inhibit NF-κB into the nucleus. Theophylline (1,3-Dimethylxanthine) induces apoptosis. Theophylline (1,3-Dimethylxanthine) can be used for asthma and chronic obstructive pulmonary disease (COPD) research.
• Synonyms: Acet-theocin
• IUPAC Name: 1,3-Dimethyl-7H-purine-2,6-dione
• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2
• InChI: InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
• InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
• Boiling Point: 312.97 °C
• Melting Point: 271-273 °C
• Flash Point: 11 °C
• Density: 1.3640 g/cm³
• Solubility: Slightly soluble in water
• Appearance: White powder
• Storage: 2-8 °C
• Active Content: 95%
• Assay: 0.9999
• Complexity: 267
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 180.06472551
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Monoisotopic Mass: 180.06472551
• Packaging: 1 kg
• Physical State: Solid
• pKa: 8.77(at 25 °C)
• Refractive Index: 1.6700
• Rotatable Bond Count: 0
• Stability: Stable. Incompatible with strong oxidizing agents.
• Storage Conditions: 2-8°C
• Topological Polar Surface Area: 69.3 Ų

Custom Q&A

What are some synonyms for the product name Theophylline?

1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione; 1,3-dimethyl-xanthin; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl; 3,7-dihydro-1,3-dimethyl-1h-purine-6-dione; 3h)-dione,1,3-dimethyl-purine-6(1h; 6-dione,3,7-dihydro-1,3-dimethyl-1H-Purine-2; accurbron; Acet-theocin

What is the CAS number for Theophylline?

58-55-9

How is Theophylline used in clinical practice?

Theophylline is used in the management of asthma, treating the reversible component of airway obstruction associated with chronic obstructive pulmonary disease, and relieving dyspnea associated with pulmonary edema from congestive heart failure.

What is the melting point of Theophylline?

271-273 °C

What are the Hazard Codes associated with Theophylline?

Xn, T, F, Xi

What is the main mechanism of action of Theophylline in bronchodilation?

Theophylline inhibits phosphodiesterases responsible for the hydrolysis of cAMP and cGMP, which mediate bronchial smooth muscle relaxation.

How was Theophylline historically used clinically?

Theophylline was first used clinically as a diuretic in 1902 and was later reported for asthma treatment in 1922.

How does Theophylline affect smooth muscle relaxation?

Theophylline can reduce the tension of smooth muscle, dilate the respiratory tract, promote the release of endogenous epinephrine and norepinephrine, and inhibit the release of calcium ions from smooth muscle.

What is the main use of Theophylline according to its safety data?

Theophylline is a bronchodilator used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).

What are some related derivatives of Theophylline?

Aminophylline, dihydroxypropyl theophylline, oxtriphylline, and doxofylline.