Cat. No.: HY-B0809

Theophylline

(Synonyms: 1,3-Dimethylxanthine; Theo-24)

12 Cited Publications

Customer Review

Based on 12 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

Theophylline Chemical Structure

CAS No.: 58-55-9

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Biological Activity
- Description
- IC₅₀ & Target
- In Vitro
- In Vivo
- Clinical Trial
Chemical Information
Publications (12)
Solvent & Solubility
- In Vitro
- In Vivo
Purity & Documentation
References
Help & FAQs
Bioz

Biological Activity

Description

IC₅₀ & Target

IL-10

IL-6

PDE3

Human Endogenous Metabolite

All Phosphodiesterase (PDE) Isoforms :

All Adenosine Receptor Isoforms :

All HDAC Isoforms :

All Interleukin Related Isoforms :

All TNF Receptor Isoforms :

All Endogenous Metabolite Isoforms :

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.

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].

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 A549
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
- Alkaloids
- Other Alkaloids
Initial Source
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 (12)

All Flow CytometryWBCell Proliferation/Viability AssayIFCell Imaging/Staining

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Journal Impact Factor

Cell Rep Med

Profiling the metabolome of uterine fluid for early detection of ovarian cancer. [Abstract]

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
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
Cell Rep Methods

RECOVER identifies synergistic drug combinations in vitro through sequential model optimization. [Abstract]

2023 Oct 23;3(10):100599. PMID: 37797618
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
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
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
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
Research Square Preprint

2020 Oct.

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)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

5.5503 mL

27.7516 mL

55.5031 mL

5 mM

1.1101 mL

5.5503 mL

11.1006 mL

10 mM

0.5550 mL

2.7752 mL

5.5503 mL

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.

Molarity Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

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.

Protocol 1

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.

Protocol 2

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.

Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 1.11 mg/mL (6.16 mM); Clear solution

This protocol yields a clear solution of ≥ 1.11 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (11.1 mg/mL) to 900 μL Corn oil, and mix evenly.

Working Solution

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.

Protocol 1

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:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during 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

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (313 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)
- Portuguese - PT (481 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 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]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

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
0.1 M NaOH	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

12 Cited Publications

100 mg Get Quote

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Theophylline

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Publications Citing Use of MedChemExpress (MCE) Theophylline

All Phosphodiesterase (PDE) Isoforms

All Adenosine Receptor Isoforms