CAS 5967-84-0|Theophylline monohydrate
Introduction：Basic information about CAS 5967-84-0|Theophylline monohydrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Theophylline monohydrate | ||
|---|---|---|---|
| CAS Number | 5967-84-0 | Molecular Weight | 198.17900 |
| Density | / | Boiling Point | 454.1ºC at 760 mmHg |
| Molecular Formula | C7H10N4O3 | Melting Point | 270-274°C |
| MSDS | / | Flash Point | / |
Names
| Name | Theophylline Monohydrate |
|---|---|
| Synonym | More Synonyms |
Theophylline monohydrate BiologicalActivity
| Description | Theophylline (1,3-Dimethylxanthine) monohydrate is a potent phosphodiesterase (PDE) inhibitor, adenosine receptor antagonist, and histone deacetylase (HDAC) activator. Theophylline (1,3-Dimethylxanthine) monohydrate inhibits PDE3 activity to relax airway smooth muscle. Theophylline (1,3-Dimethylxanthine) monohydrate has anti-inflammatory activity by increase IL-10 and inhibit NF-κB into the nucleus. Theophylline (1,3-Dimethylxanthine) monohydrate induces apoptosis. Theophylline (1,3-Dimethylxanthine) monohydrate can be used for asthma and chronic obstructive pulmonary disease (COPD) research[1][2][3][4][5]. |
|---|---|
| Related Catalog | Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>CancerSignaling Pathways >>Metabolic Enzyme/Protease >>Phosphodiesterase (PDE)Signaling Pathways >>Immunology/Inflammation >>Interleukin RelatedSignaling Pathways >>Cell Cycle/DNA Damage >>HDACSignaling Pathways >>GPCR/G Protein >>Adenosine ReceptorSignaling Pathways >>Epigenetics >>HDAC |
| Target | Human Endogenous Metabolite |
| In Vitro | Theophylline (1,3-Dimethylxanthine) monohydrate (1-1000 µM) inhibits cAMP hydrolysis by PDE in homogenates of bronchial tissue to relax human bronchus and pulmonary arteries[1]. Theophylline (1,3-Dimethylxanthine) monohydrate (10 µg/mL; 24 h; eosinophils) induces apoptosis through a reduction in the antiapoptotic protein Bcl-2[2]. Theophylline (1,3-Dimethylxanthine) monohydrate (0-500 µM; 2 h; A549 cells) inhibits NF-κB activation, I kappa B alpha (I-κBα) degradation and decreases the level of IL-6 in a concentration-dependent manner[3]. Theophylline (1,3-Dimethylxanthine) monohydrate (0-1000 µM; 30 min; A549 cells) induces histone deacetylase activity to decrease inflammatory gene expression[4]. Western Blot Analysis[3] Cell Line: A549 cells Concentration: 0, 20, 100 and 500 µM Incubation Time: 2 hours Result: Decreased the expression of NF-κB p65 and I-κBα degradation in a concentration-dependent manner. Western Blot Analysis[2] Cell Line: Eosinophils Concentration: 10 µg/mL Incubation Time: 24 hours Result: Decreased the expression of Bcl-2. |
| In Vivo | Theophylline (1,3-Dimethylxanthine) (100 mg/kg; i.p.; daily, for 9 d; male Swiss mice) has anti-inflammatory activity in mice and increases IL-6 and IL-10 levels and inhibits TNF-α and NO[1]. Animal Model: Male Swiss mice[1] Dosage: 100 mg/kg Administration: Intraperitoneal injection; daily, for 9 days Result: Increased IL-6 and IL-10 levels and inhibited TNF-α and NO. |
| References | [1]. Rabe KF, et, al. Theophylline and selective PDE inhibitors as bronchodilators and smooth muscle relaxants. Eur Respir J. 1995 Apr;8(4):637-42. [2]. Chung IY, et, al. The downregulation of Bcl-2 expression is necessary for theophylline-induced apoptosis of eosinophil. Cell Immunol. 2000 Aug 1;203(2):95-102. [3]. Ichiyama T, et, al. Theophylline inhibits NF-kappa B activation and I kappa B alpha degradation in human pulmonary epithelial cells. Naunyn Schmiedebergs Arch Pharmacol. 2001 Dec;364(6):558-61. [4]. Ito K, et, al, Adcock IM, Barnes PJ. A molecular mechanism of action of theophylline: Induction of histone deacetylase activity to decrease inflammatory gene expression. Proc Natl Acad Sci U S A. 2002 Jun 25;99(13):8921-6. [5]. Barnes PJ. Theophylline. Am J Respir Crit Care Med. 2013 Oct 15;188(8):901-6. |
Chemical & Physical Properties
| Boiling Point | 454.1ºC at 760 mmHg |
|---|---|
| Melting Point | 270-274°C |
| Molecular Formula | C7H10N4O3 |
| Molecular Weight | 198.17900 |
| Exact Mass | 198.07500 |
| PSA | 81.91000 |
| InChIKey | INQSMEFCAIHTJG-UHFFFAOYSA-N |
| SMILES | Cn1c(=O)c2[nH]cnc2n(C)c1=O.O |
Safety Information
| Risk Phrases | R23/24/25 |
|---|---|
| Safety Phrases | S22-S36/37/39 |
| RIDADR | 2811 |
| HS Code | 2933990090 |
Customs
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Synonyms
| EINECS 200-385-7 |
| MFCD00151659 |
| Theophylline monohydrate |
