| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
ICI 89406 targets β-adrenergic receptors. It is a selective β1-adrenergic receptor antagonist. It acts as a low-efficacy partial agonist at these receptors. By competitively blocking β-adrenergic receptors, it reduces the effects of catecholamines. Its selectivity for the β1 subtype makes it a valuable tool for studying the distinct roles of β1- and β2-adrenoceptors in cardiovascular and other physiological systems.
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| ln Vitro |
In vitro, ICI 89406 acts as a β-adrenergic antagonist and low-efficacy partial agonist. Its activity is typically assessed by measuring its ability to inhibit agonist-induced cAMP accumulation in cells expressing β1- or β2-adrenergic receptors. As a partial agonist, it may produce a submaximal response even in the absence of a full agonist. Its selectivity for β1 over β2 receptors is confirmed in binding and functional assays.
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| ln Vivo |
In vivo, ICI 89406 does not affect resting cardiac parameters. As a β1-selective antagonist, it would be expected to reduce heart rate and cardiac contractility, particularly under conditions of sympathetic activation. Its low-efficacy partial agonist activity may result in less pronounced bradycardia compared to full beta-blockers. The compound has been used in studies of cardiovascular regulation and adrenergic signaling.
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| Enzyme Assay |
For non-cell-based receptor binding assays, ICI 89406 can be evaluated using membrane preparations from cells expressing human β1- or β2-adrenergic receptors. Radioligand binding displacement experiments are performed using a radiolabeled antagonist such as [3H]-CGP-12177. Membrane homogenates are incubated with increasing concentrations of the test compound and a fixed concentration of the radioligand. Bound radioligand is separated from free by rapid filtration through glass fiber filters. Non-specific binding is determined in the presence of excess unlabeled propranolol. Ki values are calculated from displacement curves.
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| Cell Assay |
For in vitro cellular assays, cells expressing human β1- or β2-adrenergic receptors are cultured in appropriate media. For cAMP accumulation assays, cells are pre-incubated with forskolin to stimulate cAMP production, then treated with various concentrations of ICI 89406 in the presence or absence of a β-agonist. cAMP levels are measured using ELISA or HTRF-based detection. The compound's ability to inhibit agonist-induced cAMP accumulation (antagonist activity) and its intrinsic activity (partial agonist activity) are assessed. EC50 and IC50 values are calculated.
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| Animal Protocol |
Animal/Disease Models: Rats[2].
Doses: 0.6, 5 or 50 mg/kg. Route of Administration: Orally (5 or 50 mg/kg), ip (5 mg/kg), iv 0.6 (0.6 mg/kg) (pharmacokinetic/PK Analysis ). Experimental Results: Following oral administration, the dose of 5 mg/kg urinary and faecal excretion accounted for 5.8 + 0.7% and 96.4 + 2.1%. The dose of 50 mg/kg urinary and faecal excretion accounted for 14.0 + 4.0% and 78.4 + 2.4%. The proportions of unchanged drug and metabolites in urine were independent of the dose. The unchanged drug accounted for 81.6% of the faecal components after a dose of 5 mg/kg but this was decreased to 47.8%. For in vivo animal studies, ICI 89406 can be administered to rodents via intraperitoneal injection or oral gavage. In cardiovascular studies, hemodynamic parameters including heart rate, blood pressure, and cardiac contractility are monitored. The compound's effects on these parameters under resting conditions and during sympathetic stimulation are assessed. Dosing regimens vary depending on the specific model and desired exposure levels. Blood and tissue samples may be collected for pharmacokinetic analysis. |
| ADME/Pharmacokinetics |
ICI 89406 has a molecular weight of 354.41 and a molecular formula of C19H22N4O3. It has a purity of ≥99% (HPLC). The compound is soluble in DMSO (35.44 mg/mL). It should be stored at room temperature. The compound is sold with the permission of AstraZeneca UK Ltd. It is for research use only and is not intended for human consumption.
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| Toxicity/Toxicokinetics |
The toxicity profile of ICI 89406 has not been extensively reported. As a β-adrenergic receptor antagonist and partial agonist, potential adverse effects may include bradycardia, hypotension, and bronchoconstriction. However, its β1-selectivity may reduce the risk of bronchoconstriction compared to non-selective beta-blockers. The compound is for research use only and is not intended for human consumption.
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| References |
[1]. Marilyn P Law, et al. Are [O-methyl-11C]derivatives of ICI 89,406 beta1-adrenoceptor selective radioligands suitable for PET? Eur J Nucl Med Mol Imaging. 2008 Jan;35(1):174-85.
[2]. B Costall, et al. Changes in dopamine receptor status after denervation or chronic receptor stimulation [proceedings]. Br J Pharmacol. 1979 Jul;66(3):492P-493P. |
| Additional Infomation |
1-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-phenylurea is a type of urea compound.
ICI 89406 is a β-adrenergic antagonist and low-efficacy partial agonist. It is a selective β1-adrenergic receptor antagonist amenable to labeling with positron emitters for PET. It does not affect resting cardiac parameters. It is used in research to investigate cardiovascular regulation and adrenergic signaling. It is sold with the permission of AstraZeneca UK Ltd and is available for research purposes only. |
| Molecular Formula |
C19H22N4O3
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|---|---|
| Molecular Weight |
354.40
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| Exact Mass |
354.169
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| CAS # |
53671-71-9
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| PubChem CID |
123686
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| Appearance |
White to off-white solid powder
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| Density |
1.25 g/cm3
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| Boiling Point |
575ºC at 760 mmHg
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| Melting Point |
155-156 °C
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| Flash Point |
301.5ºC
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| Index of Refraction |
1.613
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| LogP |
2.564
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
26
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| Complexity |
459
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C1=C([H])C([H])=C([H])C([H])=C1C#N)C([H])([H])C([H])(C([H])([H])N([H])C([H])([H])C([H])([H])N([H])C(N([H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O)O[H]
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| InChi Key |
HTLWRKRZKFAAAH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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| Chemical Name |
1-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-phenylurea
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 2.8217 mL | 14.1084 mL | 28.2167 mL | |
| 5 mM | 0.5643 mL | 2.8217 mL | 5.6433 mL | |
| 10 mM | 0.2822 mL | 1.4108 mL | 2.8217 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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