Theophylline
Based on 14 publication(s) in Google Scholar
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.
For research use only. We do not sell to patients.
- Purity : 99.97%
- CAS No.: 58-55-9
- Formula: C7H8N4O2
- Molecular Weight:180.17
-
Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
-
Biological Activity
-
Chemical Information
-
Solvent & Solubility
- Protocols
- Purity & Documentation
- References
-
Help & FAQs
-
HY-N0138
TheobromineEndogenous Metabolite -
HY-B0228
AdenosineEndogenous Autacoid -
HY-B0246
CarbamazepineAnticonvulsant -
HY-14654
AspirinCOX Inhibitor -
HY-W016498
Paraxanthine -
HY-100508
ITSA-1HDAC activator -
HY-13653
(-)-Epigallocatechin GallateAnticancer Agent -
HY-B0167
Salicylic acidCOX-2 Inhibitor -
HY-B0809R
Theophylline (Standard) -
HY-B0573B
Propranololβ-Adrenoceptor Blocker -
HY-B0272
RifampicinAntivirus Agent -
HY-16637
Folic acidB complex
Publications Citing Use of MedChemExpress (MCE) Theophylline
More- Nucleic Acids Res. 2026 Jun 8;54(11):gkag592. [Abstract]
- Cell Rep Med. 2023 Jun 20;4(6):101061. [Abstract]
- Cell Chem Biol. 2025 Sep 18;32(9):1140-1149.e3. [Abstract]
- Cell Rep Methods. 2023 Oct 23;3(10):100599. [Abstract]
- Int J Mol Sci. 2025 Nov 10;26(22):10883. [Abstract]
- Int J Mol Sci. 2024 Mar 3;25(5):2947. [Abstract]
- Int J Mol Sci. 2023 Jan 5;24(2):1019. [Abstract]
- Biol Proced Online. 2025 Jun 16;27(1):21. [Abstract]
- Drug Metab Dispos. 2026 Jul 14;54(8):100365.
- 3 Biotech. 2025 Apr;15(4):72. [Abstract]
- Pharmacol Res Perspect. 2020 Apr;8(2):e00575. [Abstract]
- Eur J Drug Metab Pharmacokinet. 2022 Sep;47(5):639-652. [Abstract]
- Exp Brain Res. 2024 Aug;242(8):1983-1998. [Abstract]
- Research Square Preprint. 2020 Oct.
Customer Validation & Images
-
Flow Cytometry
-
Cell Proliferation/Viability Assay
-
WB
-
IF
-
Cell Imaging/Staining
All Adenosine Receptor Isoforms
MoreAll Endogenous Metabolite Isoforms
More
Biological Activity
Description
IC50 & Target
|
IL-10 |
IL-6 |
PDE3 |
Human Endogenous Metabolite |
In Vitro
Theophylline (1,3-Dimethylxanthine) (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) (10 μg/mL; 24 h; eosinophils) induces apoptosis through a reduction in the antiapoptotic protein Bcl-2[2].
Theophylline (1,3-Dimethylxanthine) (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) (0-1000 μM; 30 min; A549 cells) induces histone deacetylase activity to decrease inflammatory gene expression[4].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. Further protocols information, click here.
-
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.
-
Cell Line:Eosinophils
-
Concentration:10 µg/mL
-
Incubation Time:24 hours
-
Result:Decreased the expression of Bcl-2.
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
-
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.
Clinical Trial
| NCT Number | Sponsor | Condition | Start Date |
Phase
|
|---|---|---|---|---|
| NCT01329991 | Plexxikon| | 2011-05 | PHASE1 |
Chemical Information
-
CAS No. 58-55-9
-
Appearance Solid
-
Molecular Weight 180.17
-
Formula C7H8N4O2
-
Color White to off-white
-
SMILES
O=C(N1C)N(C)C2=C(N=CN2)C1=O
-
Synonyms
1,3-Dimethylxanthine; Theo-24
-
Structure Classification
-
Shipping
Room temperature in continental US; may vary elsewhere.
-
Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 2 years -20°C 1 year
Publications (14)
-
Journal Impact Factor
-
Most Recent
-
Nucleic Acids Res
Enhancing small-molecule-mediated translational control through multivalent RNA aptamers. [Abstract]2026 Jun 8;54(11):gkag592. PMID: 42273917 -
Cell Rep Med
2023 Jun 20;4(6):101061. PMID: 37267943 -
Cell Chem Biol
Structural basis of adenosine 2A receptor-balanced signaling activation relies on allosterically mediated structural dynamics. [Abstract]2025 Sep 18;32(9):1140-1149.e3. PMID: 40925370 -
Cell Rep Methods
RECOVER identifies synergistic drug combinations in vitro through sequential model optimization. [Abstract]2023 Oct 23;3(10):100599. PMID: 37797618 -
Int J Mol Sci
Elucidating Circular Ribonucleic Acid Mechanisms Associated with Splicing Factor 3 Inhibition in Cervical Cancer. [Abstract]2025 Nov 10;26(22):10883. PMID: 41303368
Theophylline purchased from MedChemExpress. Usage Cited in: Int J Mol Sci. 2025 Nov 10;26(22):10883. [Abstract]
Flow cytometry analysis of cell cycle distribution in CCa cell lines C33A and SiHa following treatment with vehicle control or 10 mM Theophylline for 24 and 48 h.
Theophylline purchased from MedChemExpress. Usage Cited in: Int J Mol Sci. 2025 Nov 10;26(22):10883. [Abstract]
Bar graphs showing the apoptotic effects of 10 mM Theophylline on SiHa cells at 24 and 48 h.
-
Int J Mol Sci
Proanthocyanidins Ameliorate LPS-Inhibited Osteogenesis of PDLSCs by Restoring Lysine Lactylation. [Abstract]2024 Mar 3;25(5):2947. PMID: 38474198
Theophylline purchased from MedChemExpress. Usage Cited in: Int J Mol Sci. 2024 Mar 3;25(5):2947. [Abstract]
Theophylline (Theo-24). Western blotting shows the protein levels of COL-1, ALP, RUNX2, and BMP2 in PDLSCs after treatment with the indicated conditions.
Theophylline purchased from MedChemExpress. Usage Cited in: Int J Mol Sci. 2024 Mar 3;25(5):2947. [Abstract]
Theophylline (Theo-24). Immunofluorescence staining images showing the expression levels of RUNX2 (green) and Pan Kla (red) in PDLSCs treated with the conditions as shown. Cell nuclei were stained with DAPI (blue).
Theophylline purchased from MedChemExpress. Usage Cited in: Int J Mol Sci. 2024 Mar 3;25(5):2947. [Abstract]
Theophylline (Theo-24). ALP staining at 7 days and ARS staining at 21 days of osteogenic induction in PDLSCs.
-
Int J Mol Sci
Theophylline Attenuates BLM-Induced Pulmonary Fibrosis by Inhibiting Th17 Differentiation. [Abstract]2023 Jan 5;24(2):1019. PMID: 36674533 -
Biol Proced Online
Establishment of a mouse lung cancer organoid model and its applications for therapeutic screening. [Abstract]2025 Jun 16;27(1):21. PMID: 40524168 -
-
3 Biotech
Triple regulation of oxidative-acetylation cycling pathways in COPD glucocorticoid resistance by HuaTanJiangQi capsules. [Abstract]2025 Apr;15(4):72. PMID: 40060290 -
Pharmacol Res Perspect
Applicability of free drug hypothesis to drugs with good membrane permeability that are not efflux transporter substrates: A microdialysis study in rats. [Abstract]2020 Apr;8(2):e00575. PMID: 32266794 -
Eur J Drug Metab Pharmacokinet
Evaluation of an Ussing Chamber System Equipped with Rat Intestinal Tissues to Predict Intestinal Absorption and Metabolism in Humans. [Abstract]2022 Sep;47(5):639-652. PMID: 35733077 -
Exp Brain Res
HDAC6 modulates the cognitive behavioral function and hippocampal tissue pathological changes of APP/PS1 transgenic mice through HSP90-HSF1 pathway. [Abstract]2024 Aug;242(8):1983-1998. PMID: 38935089 -
Solvent & Solubility
In Vitro:
0.1 M NaOH : 20 mg/mL (111.01 mM; ultrasonic and warming and adjust pH to 10 with 0.1 M NaOH and heat to 60°C)
DMSO : 11.11 mg/mL (61.66 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
H2O : 5 mg/mL (27.75 mM; Need ultrasonic)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
In Vivo:
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 1.11 mg/mL (6.16 mM); Clear solution
This protocol yields a clear solution of ≥ 1.11 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (11.1 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 1.11 mg/mL (6.16 mM); Clear solution
This protocol yields a clear solution of ≥ 1.11 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (11.1 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
For the following dissolution methods, please prepare the working solution directly:
It is recommended to prepare fresh solutions and use them promptly within a short period of time.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: PBS
Solubility: 11 mg/mL (61.05 mM); Clear solution; Need ultrasonic
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
-
-
-
-
Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
-
%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
-
%+
-
+%Tween-80 + +
-
%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Protocols
-
Apoptosis
Apoptosis, also called programmed cell death, is generally characterized by distinct morphological characteristics.
-
TUNEL staining for apoptotic DNA fragmentation
TUNEL staining detects DNA strand breaks by using terminal deoxynucleotidyl transferase to add labeled nucleotides to exposed 3′-OH DNA termini, generating either microscopic staining in fixed cells or tissue sections, or fluorescence/cytometric signal in cell suspensions. TUNEL positivity reflects DNA fragmentation but should not be interpreted alone as definitive apoptosis, because TUNEL can also label necrotic, autolytic, mechanically damaged, or DNA-repair-associated DNA breaks.
-
Annexin V plus membrane-impermeant dye apoptosis staining
Annexin V-based apoptosis assays rely on the detection of phosphatidylserine (PS) externalization from the inner leaflet of the plasma membrane to the outer leaflet, an early biochemical hallmark of apoptosis. Fluorescently labeled Annexin V binds PS in a calcium-dependent manner, enabling identification of early apoptotic cells by flow cytometry or fluorescence microscopy. When combined with a membrane-impermeant DNA-binding dye (e. g. , propidium iodide), this approach allows discrimination between viable (Annexin V−/dye−), early apoptotic (Annexin V+/dye−), and late apoptotic or necrotic (Annexin V+/dye+) cell populations by assessing membrane integrity and PS exposure.
-
Cotton Pellet Granuloma
Cotton pellet granuloma is a classical in vivo chronic inflammation model used to evaluate the anti-inflammatory potential of test substances by measuring their ability to inhibit granuloma tissue formation around an implanted foreign body (cotton pellet) in rodents. The method is based on the biological response to a sterile implanted material, which induces proliferative phase inflammation characterized by fibroblast proliferation and collagen-rich granuloma formation, and the final readout reflects the extent of chronic inflammatory tissue growth surrounding the pellet. In multiple preclinical pharmacological evaluations, inhibition of cotton pellet-induced granuloma formation has been used as an indicator of anti-inflammatory activity in both synthetic and natural product screening contexts.
-
Carrageenan-Induced Paw Edema
Carrageenan-induced paw edema is an acute inflammation model in which intraplantar injection of carrageenan induces localized inflammatory swelling characterized by vascular permeability, leukocyte infiltration, and production of inflammatory mediators such as prostaglandins and cytokines, making it widely used to evaluate anti-inflammatory agents in vivo. The resulting paw volume or thickness increase is quantified over time as a direct readout of inflammatory intensity and drug efficacy, typically reflecting cyclooxygenase-mediated prostaglandin-driven edema formation and immune cell recruitment in peripheral tissue[20].
-
Apoptosis Solutions
Apoptosis is a regulated, generally non-lytic cell-death pathway that removes unwanted, damaged, infected, or abnormal cells through coordinated morphological changes, caspase activation, DNA fragmentation, and membrane remodeling. The intrinsic apoptosis pathway is controlled mainly by mitochondrial outer membrane permeabilization, BCL-2 family proteins, cytochrome c release, apoptosome formation, caspase-9 activation, and downstream executioner caspase-3/7 activation. The extrinsic apoptosis pathway is initiated by death receptors such as Fas, TNFR, and TRAIL receptors, which recruit adaptor proteins and activate caspase-8 before engaging executioner caspases or mitochondrial amplification through BID cleavage. Apoptosis is linked to many phenotypes, including cancer cell killing, tissue homeostasis, immune regulation, neurodegeneration, infection response, and treatment-induced cytotoxicity; unresolved questions include how apoptosis interacts with necroptosis, pyroptosis, ferroptos
-
Research Protocol for Inflammation-related Diseases
The NLRP3 inflammasome is a cytosolic innate immune signaling platform that integrates priming signals and danger-signal activation to promote caspase-1 activation, maturation of IL-1β and IL-18, and gasdermin D-mediated pyroptotic cell death. The core experimental logic is to determine whether inflammatory disease phenotypes are driven by increased NLRP3 expression, ASC-containing inflammasome assembly, caspase-1 cleavage, GSDMD cleavage, and extracellular release of IL-1β/IL-18 rather than by nonspecific cell injury alone. The pathway is strongly linked to inflammation-related disease phenotypes because monosodium urate crystals activate NALP3/NLRP3 inflammasome signaling in gout-like crystal inflammation, cholesterol crystals activate NLRP3 inflammasomes in atherogenesis models, and DSS-induced intestinal inflammation has been reported to involve NLRP3 inflammasome activity. However, experimental colitis studies also show context-dependent protective effects of NLRP3 inflammasome co
Purity & Documentation
-
Data Sheet (283 KB)
-
SDS (481 KB)
- English - EN (481 KB)
- Français - FR (481 KB)
- Deutsch - DE (481 KB)
- Norwegian - NO (481 KB)
- Español - ES (481 KB)
- Swedish - SV (481 KB)
- Italian - IT (481 KB)
- Korean - KR (481 KB)
- Portuguese - PT (481 KB)
-
Handling Instructions (2659 KB)
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. [Content Brief]
[2]. Németh ZH, et, al. Amrinone and theophylline differentially regulate cytokine and nitric oxide production in endotoxemic mice. Shock. 1997 May;7(5):371-5. [Content Brief]
[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. [Content Brief]
[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. [Content Brief]
[5]. Barnes PJ. Theophylline. Am J Respir Crit Care Med. 2013 Oct 15;188(8):901-6. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| H2O / DMSO / 0.1 M NaOH | 1 mM | 5.5503 mL | 27.7516 mL | 55.5031 mL | 138.7578 mL |
| 5 mM | 1.1101 mL | 5.5503 mL | 11.1006 mL | 27.7516 mL | |
| 10 mM | 0.5550 mL | 2.7752 mL | 5.5503 mL | 13.8758 mL | |
| 15 mM | 0.3700 mL | 1.8501 mL | 3.7002 mL | 9.2505 mL | |
| 20 mM | 0.2775 mL | 1.3876 mL | 2.7752 mL | 6.9379 mL | |
| 25 mM | 0.2220 mL | 1.1101 mL | 2.2201 mL | 5.5503 mL | |
| DMSO / 0.1 M NaOH | 30 mM | 0.1850 mL | 0.9251 mL | 1.8501 mL | 4.6253 mL |
| 40 mM | 0.1388 mL | 0.6938 mL | 1.3876 mL | 3.4689 mL | |
| 50 mM | 0.1110 mL | 0.5550 mL | 1.1101 mL | 2.7752 mL | |
| 60 mM | 0.0925 mL | 0.4625 mL | 0.9251 mL | 2.3126 mL | |
| 0.1 M NaOH | 80 mM | 0.0694 mL | 0.3469 mL | 0.6938 mL | 1.7345 mL |
| 100 mM | 0.0555 mL | 0.2775 mL | 0.5550 mL | 1.3876 mL |
* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.
Theophylline Related Classifications
HY-B0809 Related Classifications
Powered by Bioz
Keywords