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Purity: ≥98%
Lu AE58054 hydrochloride (also known as Idalopirdine hydrochloride) is potent and selective antagonist of the 5-HT(6) receptor with Ki value of 0.83 nM. Lu AE58054 exhibited strong suppression of 5-HT-mediated activation but no agonist activity in a 5-HT(6) GTPgammaS efficacy assay. Lu AE58054 showed >50-fold selectivity for more than 70 targets studied in addition to medium affinity to adrenergic alpha(1A)- and alpha(1B)-adrenoreceptors. Lu AE58054 is being tested as an augmentation therapy in phase III clinical trials to treat cognitive deficits linked to schizophrenia and Alzheimer's disease.
| Targets |
5-HT6 Receptor ( Ki = 0.83 nM )
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| ln Vivo |
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| Animal Protocol |
Male Wistar rats
5 mg/kg intraperitoneal injection, daily, 28 days |
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| References |
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| Molecular Formula |
C20H20CLF5N2O
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| Molecular Weight |
434.83
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| Exact Mass |
398.14
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| Elemental Analysis |
C, 55.24; H, 4.64; Cl, 8.15; F, 21.85; N, 6.44; O, 3.68
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| CAS # |
467458-02-2
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| Related CAS # |
Idalopirdine; 467459-31-0
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| Appearance |
White to off-white solid powder
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| SMILES |
C1=CC(=CC(=C1)OCC(C(F)F)(F)F)CNCCC2=CNC3=C2C=CC(=C3)F.Cl
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| InChi Key |
KXOQNPANAFXKTN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H19F5N2O.ClH/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23;/h1-5,8-9,11,19,26-27H,6-7,10,12H2;1H
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| Chemical Name |
2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;hydrochloride
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| Synonyms |
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.75 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 25.0 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: ≥ 2.5 mg/mL (5.75 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 25.0 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: ≥ 2.5 mg/mL (5.75 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 | 2.2997 mL | 11.4987 mL | 22.9975 mL | |
| 5 mM | 0.4599 mL | 2.2997 mL | 4.5995 mL | |
| 10 mM | 0.2300 mL | 1.1499 mL | 2.2997 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT02019394 | Completed | Drug: Lu AE58054 | Healthy | H. Lundbeck A/S | December 2013 | Phase 1 |
| NCT02122692 | Completed | Drug: Lu AE58054 30 mg Drug: Itraconazole |
Healthy Volunteers | H. Lundbeck A/S | March 2014 | Phase 1 |
| NCT02231450 | Completed | Drug: Lu AE58054 encapsulated film-coated tablets |
Heptic Impairment | H. Lundbeck A/S | July 2014 | Phase 1 |
| NCT01019421 | Completed | Drug: Lu AE58054 Drug: Placebo |
Alzheimer's Disease | H. Lundbeck A/S | December 2009 | Phase 2 |
| NCT00810667 | Completed | Drug: Lu AE58054 Drug: Placebo |
Schizophrenia Cognition |
H. Lundbeck A/S | November 2008 | Phase 2 |
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