| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
ICI-199441 HCl targets the κ-opioid receptor (KOR), a G-protein-coupled receptor involved in pain modulation, stress responses, and addiction. It acts as a potent and selective agonist, mimicking the effects of endogenous dynorphins. It has been shown to strongly inhibit the activity of cytochrome P450 2D6 (CYP2D6) with an IC50 of 26 nM.
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|---|---|
| ln Vitro |
In vitro, ICI-199441 HCl acts as a potent and selective κ-opioid receptor agonist. It activates KOR-mediated signaling pathways, such as G-protein activation and inhibition of cAMP accumulation. Its selectivity for KOR over other opioid receptors makes it a valuable tool for studying KOR function.
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| ln Vivo |
When ICI 199441 (Wistar rats, 0.1 mg/kg intravenously, once) is given 15 minutes before to ischemia, it has strong antiarrhythmic effects [1].
In vivo, ICI-199441 HCl has analgesic effects. It has also been shown to improve heart resistance to ischemia/reperfusion, suggesting potential cardioprotective effects. Its activation of KOR may mediate these protective effects by modulating autonomic function and reducing sympathetic tone. |
| Enzyme Assay |
κ-Opioid receptor binding affinity is determined using radioligand binding assays. Membrane preparations from cells expressing the human KOR are incubated with a radiolabeled antagonist (e.g., [³H]-diprenorphine) and varying concentrations of ICI-199441 HCl. The Ki value is calculated from competitive binding curves.
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| Cell Assay |
The functional activity of ICI-199441 HCl is assessed in cells expressing the KOR, such as CHO cells. The compound's ability to stimulate [³⁵S]GTPγS binding or inhibit forskolin-stimulated cAMP accumulation is measured. The EC50 is calculated from the dose-response curve.
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| Animal Protocol |
In vivo efficacy is evaluated in animal models of pain, such as the tail-flick or hot-plate tests. ICI-199441 HCl is administered, and its analgesic effect is measured. Its cardioprotective effects can be assessed in models of myocardial ischemia-reperfusion injury.
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| ADME/Pharmacokinetics |
As a small molecule with a molecular weight of 427.79 g/mol, ICI-199441 HCl is expected to have favorable drug-like properties. It may have good oral bioavailability and blood-brain barrier penetration, which is important for central analgesic effects.
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| Toxicity/Toxicokinetics |
As a κ-opioid receptor agonist, potential toxicities include dysphoria, sedation, and diuresis, which are common with KOR activation. Its inhibition of CYP2D6 may also cause drug-drug interactions with other medications metabolized by this enzyme.
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| References | |
| Additional Infomation |
See also: Ici-199441 (Note moved to).
ICI-199441 HCl is a research compound used as a potent and selective κ-opioid receptor agonist. It is a valuable tool for studying KOR function in pain, stress, and cardiovascular research. It is not approved for clinical use. |
| Molecular Formula |
C21H24N2OCL2.HCL
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|---|---|
| Molecular Weight |
427.795
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| Exact Mass |
426.103
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| Elemental Analysis |
C, 58.96; H, 5.89; Cl, 24.86; N, 6.55; O, 3.74
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| CAS # |
115199-84-3
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| Related CAS # |
116508-24-8;115199-84-3 (HCl);136328-89-7 (R-isomer);159531-32-5 (racemic);
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| PubChem CID |
3082717
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| Appearance |
White to off-white solid powder
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| Boiling Point |
532.8ºC at 760mmHg
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| Flash Point |
276ºC
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| Vapour Pressure |
1.97E-11mmHg at 25°C
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| LogP |
5.571
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
27
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| Complexity |
449
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| Defined Atom Stereocenter Count |
1
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| SMILES |
Cl.ClC1C=CC(CC(N([C@@H](C2C=CC=CC=2)CN2CCCC2)C)=O)=CC=1Cl
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| InChi Key |
VFLWVWZSDBTGQJ-VEIFNGETSA-N
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| InChi Code |
InChI=1S/C21H24Cl2N2O.ClH/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17;/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3;1H/t20-;/m1./s1
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| Chemical Name |
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
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| Synonyms |
ICI-199441 HCl; ICI 199441 HCl; ICI199441 HCl; ICI-199441 Hydrochloride; ICI 199441 Hydrochloride; ICI199441 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 : ~250 mg/mL (~584.39 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.86 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.86 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (4.86 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3375 mL | 11.6877 mL | 23.3754 mL | |
| 5 mM | 0.4675 mL | 2.3375 mL | 4.6751 mL | |
| 10 mM | 0.2338 mL | 1.1688 mL | 2.3375 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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