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    Theophylline molecular structure

    Theophylline Stats & Data

    NPS DataHub
    MW214.61
    FormulaC7H7ClN4O2
    CAS85-18-7
    IUPAC8-chloro-1,3-dimethyl-7H-purine-2,6-dione
    SMILESClc1nc2n(C)c(=O)n(C)c(=O)c2n1
    InChIKeyRYIGNEOBDRVTHA-UHFFFAOYSA-N

    Pharmacology

    DrugBank
    Half-life 8 hours Protein binding 40%, primarily to albumin. State Solid Vd * 0.3 to 0.7 L/kg

    Description

    A methylxanthine derivative from tea with diuretic, smooth muscle relaxant, bronchial dilation, cardiac and central nervous system stimulant activities. Mechanistically, theophylline acts as a phosphodiesterase inhibitor, adenosine receptor blocker, and histone deacetylase activator. Theophylline is marketed under several brand names such as Uniphyl and Theochron, and it is indicated mainly for asthma, bronchospasm, and COPD.

    Mechanism of Action

    Theophylline relaxes the smooth muscle of the bronchial airways and pulmonary blood vessels and reduces airway responsiveness to histamine, methacholine, adenosine, and allergen. Theophylline competitively inhibits type III and type IV phosphodiesterase (PDE), the enzyme responsible for breaking down cyclic AMP in smooth muscle cells, possibly resulting in bronchodilation. Theophylline also binds to the adenosine A2B receptor and blocks adenosine mediated bronchoconstriction. In inflammatory states, theophylline activates histone deacetylase to prevent transcription of inflammatory genes that require the acetylation of histones for transcription to begin.

    Pharmacodynamics

    Theophylline, an xanthine derivative chemically similar to caffeine and theobromine, is used to treat asthma and bronchospasm. Theophylline has two distinct actions in the airways of patients with reversible (asthmatic) obstruction; smooth muscle relaxation (i.e., bronchodilation) and suppression of the response of the airways to stimuli (i.e., non-bronchodilator prophylactic effects).

    Metabolism

    Hepatic. Biotransformation takes place through demethylation to 1-methylxanthine and 3-methylxanthine and hydroxylation to 1,3-dimethyluric acid. 1-methylxanthine is further hydroxylated, by xanthine oxidase, to 1-methyluric acid. About 6% of a theophylline dose is N-methylated to caffeine. Caffeine and 3-methylxanthine are the only theophylline metabolites with pharmacologic activity.

    Absorption

    Theophylline is rapidly and completely absorbed after oral administration in solution or immediate-release solid oral dosage form.

    Toxicity

    Symptoms of overdose include seizures, arrhythmias, and GI effects.

    Indication

    For the treatment of the symptoms and reversible airflow obstruction associated with chronic asthma and other chronic lung diseases, such as emphysema and chronic bronchitis.

    Elimination

    Theophylline does not undergo any appreciable pre-systemic elimination, distributes freely into fat-free tissues and is extensively metabolized in the liver. Renal excretion of unchanged theophylline in neonates amounts to about 50% of the dose, compared to about 10% in children older than three months and in adults.

    Clearance

    * 0.29 mL/kg/min Premature neonates, postnatal age 3-15 days * 0.64 mL/kg/min Premature neonates, postnatal age 25-57 days * 1.7 mL/kg/min Children 1-4 years * 1.6 mL/kg/min Children 4-12 years * 0.9 mL/kg/min Children 13-15 years * 1.4 mL/kg/min Children 16-17 years * 0.65 mL/kg/min Adults (16-60 years), otherwise healthy non-smoking asthmatics * 0.41 mL/kg/min Elderly (>60 years), non-smokers with normal cardiac, liver, and renal function * 0.33 mL/kg/min Acute pulmonary edema * 0.54 mL/kg/min COPD >60 years, stable, non-smoker >1 year * 0.48 mL/kg/min COPD with cor pulmonale * 1.25 mL/kg/min Cystic fibrosis (14-28 years) * 0.31 mL/kg/min Liver disease cirrhosis * 0.35 mL/kg/min acute hepatitis * 0.65 mL/kg/min cholestasis * 0.47 mL/kg/min Sepsis with multi-organ failure * 0.38 mL/kg/min hypothyroid * 0.8 mL/kg/min hyperthyroid

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