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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Theodrenaline has multiple targets. It functions as an agonist at beta-adrenoceptors (AR), which are G-protein coupled receptors, leading to a positive inotropic effect (increased force of contraction). Additionally, the theophylline component of the molecule provides PDE inhibition, although this effect is only significant at very high concentrations.
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| ln Vitro |
By stimulating β-adrenoceptors (AR), arcinor induces a positive inotropic effect in human atrial trabeculae[1].
In vitro, Theodrenaline has a direct effect on human cardiac tissue. In experiments using isolated human atrial trabeculae, the combination of Theodrenaline with Cafedrine (Akrinor) stimulates beta-adrenoceptors, producing a positive inotropic effect. This is a direct functional measure of its target engagement. Its PDE inhibition is not pronounced at therapeutic concentrations. |
| ln Vivo |
Only at extremely high, clinically insignificant doses of 420 mg/L does AkrinorTM generate considerable potentiation of FSK effects that could be conceivable by PDE-inhibition[1].
Theodrenaline is used clinically as a hypotensive agent, though the documents show it has a blood pressure lowering effect. The primary in vivo effect is to increase cardiac output and blood pressure, which is derived from its beta-adrenergic activity. However, the datasheet notes that the Theodrenaline-Cafedrine mixture (Akrinor) has a blood pressure lowering effect. |
| Enzyme Assay |
To characterize Theodrenaline's interaction with its targets, a non-cellular radioligand binding assay can be performed. This involves incubating membrane preparations from cells overexpressing human beta1 or beta2 adrenergic receptors with a radioactive antagonist (e.g., 3H-CGP 12177) and varying concentrations of Theodrenaline. The bound radioligand is separated by filtration, and the IC50 for displacement is calculated.
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| Cell Assay |
A cellular in vitro protocol to evaluate its effect would use human atrial trabeculae obtained from patients undergoing cardiac surgery. The muscle strips are mounted in an organ bath with oxygenated physiological salt solution at 37degC. Electrical field stimulation is applied to cause contraction. Theodrenaline is added cumulatively to the bath, and the increase in the force of contraction is measured using a force transducer.
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| Animal Protocol |
Theodrenaline is often used in combination with Cafedrine (as Akrinor) in animal models of hypotension. A standard in vivo protocol involves inducing hypotension in anesthetized rats (e.g., by hemorrhage or drug-induced vasodilation). Then, a bolus of Akrinor is administered intravenously, and blood pressure is continuously monitored via a catheter in the carotid artery to assess the recovery of mean arterial pressure.
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| ADME/Pharmacokinetics |
Theodrenaline's structure as a conjugate of a catecholamine and theophylline gives it a unique ADME profile. No specific PK data is provided in the datasheet. Being a catecholamine, it is typically administered intravenously, as it would be rapidly degraded in the gut and liver if taken orally, and it has a short duration of action due to rapid metabolism by catechol-O-methyltransferase (COMT).
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| Toxicity/Toxicokinetics |
No detailed toxicological data is provided here. As a cardiotonic agent, potential adverse effects are related to its pharmacology: excessive increase in heart rate (tachycardia) and blood pressure, and potentially arrhythmias. The drug's combination with Cafedrine is formulated to balance these effects, and the therapeutic window is determined clinically.
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| References | |
| Additional Infomation |
Theodrenaline hydrochloride is a clinically approved drug, most notably as a component of Akrinor®, a fixed-dose combination with Cafedrine used in Europe for the treatment of perioperative arterial hypotension. It provides a unique dual mechanism of action, offering positive inotropic support (via norepinephrine) and mild PDE inhibition (via theophylline), which helps maintain blood pressure during surgery.
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| Molecular Formula |
C17H22CLN5O5
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|---|---|
| Molecular Weight |
411.84
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| Exact Mass |
411.131
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| CAS # |
2572-61-4
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| Related CAS # |
Theodrenaline;13460-98-5
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| PubChem CID |
3083768
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| Appearance |
Off-white to light yellow solid powder
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| Boiling Point |
723.6ºC at 760 mmHg
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| Flash Point |
391.4ºC
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| Vapour Pressure |
5.61E-22mmHg at 25°C
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| LogP |
0.361
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
28
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| Complexity |
564
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O.Cl
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| InChi Key |
CSKCJAUXLOQTMM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H21N5O5.ClH/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10;/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3;1H
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| Chemical Name |
7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: 100 mg/mL (242.81 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4281 mL | 12.1406 mL | 24.2813 mL | |
| 5 mM | 0.4856 mL | 2.4281 mL | 4.8563 mL | |
| 10 mM | 0.2428 mL | 1.2141 mL | 2.4281 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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