Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Doxofylline is a xanthine bronchodilator known to impede phosphodiesterase activities. Doxofylline is an inhibitor of PDE
A xanthine bronchodilator known to impede phosphodiesterase activities
| Canonical Smiles | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3 |
|---|---|
| IUPAC Name | 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione |
| InChIKey | HWXIGFIVGWUZAO-UHFFFAOYSA-N |
| 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 |
| Isomeric SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3 |
| Molecular Weight | 266.25 |
| Reaxy-Rn | 561195 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=561195&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Xanthines |
| Alternative Parents | 6-oxopurines Alkaloids and derivatives Pyrimidones N-substituted imidazoles Vinylogous amides 1,3-dioxolanes Heteroaromatic compounds Ureas Lactams Oxacyclic compounds Acetals Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - N-substituted imidazole - Pyrimidine - Meta-dioxolane - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Oxacycle - Acetal - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. |
| External Descriptors | Not available |
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| Melt Point(°C) | 144-146°C |
|---|---|
| Molecular Weight | 266.250 g/mol |
| XLogP3 | -0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 266.102 Da |
| Monoisotopic Mass | 266.102 Da |
| Topological Polar Surface Area | 76.900 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 398.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Yanmin Shen, Wenju Liu, Chen Sun, TianTian Yao, Zehua Bao. (2020) Solubility measurement and solvent effect of Doxofylline in pure solvents and mixtures solvents at 278.15–323.15K. JOURNAL OF MOLECULAR LIQUIDS, [PMID:] [10.1016/j.molliq.2020.112952] |
| 2. Yan Zhang, Yaping Yang, Huicong Liang, Yuerun Liang, Guixin Xiong, Fang Lu, Kan Yang, Qi Zou, Xiaomin Zhang, Guanhua Du, Ximing Xu, Jiejie Hao. (2024) Nobiletin, as a Novel PDE4B Inhibitor, Alleviates Asthma Symptoms by Activating the cAMP-PKA-CREB Signaling Pathway. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 25 (19): (10406). [PMID:39408735] [10.3390/ijms251910406] |
| 3. Huiqiao Liu, Jiakun Zhang, Fan Zhang, Jiale Yang, Yuyuan Lu, Jun-Tao Cao, Kangzhe Cao. (2025) Molecularly imprinted polymer-assisted SERS assay with electrokinetic preconcentration for detection of theophylline in tea beverage. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2025.115696] |