CAS 69975-86-6|Doxofylline
Introduction：Basic information about CAS 69975-86-6|Doxofylline, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Doxofylline | ||
|---|---|---|---|
| CAS Number | 69975-86-6 | Molecular Weight | 266.253 |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 505.2±53.0 °C at 760 mmHg |
| Molecular Formula | C11H14N4O4 | Melting Point | 144-146ºC |
| MSDS | USA | Flash Point | 259.3±30.9 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione |
|---|---|
| Synonym | More Synonyms |
Doxofylline BiologicalActivity
| Description | Doxofylline is an antagonist of adenosine A1 receptor which also inhibits phosphodiesterase IV. |
|---|---|
| Related Catalog | Signaling Pathways >>GPCR/G Protein >>Adenosine ReceptorSignaling Pathways >>Metabolic Enzyme/Protease >>Phosphodiesterase (PDE)Research Areas >>Inflammation/Immunology |
| Target | Adenosine A1 receptor, phosphodiesterase IV[1] |
| References | [1]. 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. |
Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 505.2±53.0 °C at 760 mmHg |
| Melting Point | 144-146ºC |
| Molecular Formula | C11H14N4O4 |
| Molecular Weight | 266.253 |
| Flash Point | 259.3±30.9 °C |
| Exact Mass | 266.101501 |
| PSA | 80.28000 |
| LogP | -0.70 |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.700 |
| InChIKey | HWXIGFIVGWUZAO-UHFFFAOYSA-N |
| SMILES | Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O |
| Water Solubility | Soluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 965 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4868186
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 426 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4187308
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 315 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4187308
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 841 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 36,201,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 396 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4187308
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 216 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 36,201,1981
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302 |
| Precautionary Statements | P301 + P312 + P330 |
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36/37 |
| RIDADR | NONH for all modes of transport |
Articles8
More Articles| Doxofylline, an antiasthmatic drug lacking affinity for adenosine receptors. Arch. Int. Pharmacodyn. Ther. 295 , 221-37, (1988) In the present study the interaction of doxofylline, a new antiasthmatic drug, with A1- and A2-adenosine receptors of the guinea-pig brain and rat striatum was investigated in comparison with known me... | |
| Doxofylline in rat brain in relation to locomotor activity. Drug Metab. Dispos. 17(4) , 437-40, (1989) Doxofylline is a new xanthine derivative with significant bronchodilatatory activity. We have studied in HPLC the distribution of doxofylline in various areas of rat brain (cortex, cerebellum, limbic ... | |
| The effect of intravenous doxofylline or aminophylline on gastric secretion in duodenal ulcer patients. Aliment. Pharmacol. Ther. 4(6) , 643-9, (1990) The aim of this study was to compare the effects upon gastric secretion of therapeutic doses of aminophylline, with doxofylline, a new xanthine derivative proposed for the treatment of chronic asthma.... |
Synonyms
| Maxivent |
| Doxofilina [INN-Spanish] |
| Doxofylline |
| 1H-Purine-2,6-dione, 7-(1,3-dioxolan-2-ylmethyl)-3,7-dihydro-1,3-dimethyl- |
| Ansimar |
| 7-(1,3-Dioxolan-2-ylmethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Ventax |
| Doxofyllinum [INN-Latin] |
| 7-(1,3-dioxolan-2-ylmethyl)theophylline |
| doxophylline |
| EINECS 274-239-6 |
| ABC 12/3 |
| Dioxyfilline |
| 2-(7'-theophyllinemethyl)-1,3-dioxolane |
| 7-(1,3-Dioxolan-2-ylmethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione |
| 7-(1,3-dioxolan-2-yl-methyl)3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione |
| MFCD00865218 |
