WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 510297
CAS#: 467458-02-2 (HCl)
Description: Idalopirdine, also known as Lu AE58054 or Iladopirdine, is a potent and selective 5-HT6 receptor antagonist under development by Lundbeck as an augmentation therapy for the treatment of cognitive deficits associated with Alzheimer's disease and schizophrenia. It is in phase III clinical trials. Lu AE58054 displayed high affinity to the human 5-HT(6) receptor (5-HT(6)R) with a Ki of 0.83 nm. Lu AE58054 demonstrated >50-fold selectivity for more than 70 targets examined. Lu AE58054 is a selective antagonist of 5-HT(6)Rs with good oral bioavailability and robust efficacy in a rat model of cognitive impairment in schizophrenia. Lu AE58054 may be useful for the pharmacotherapy of cognitive dysfunction in disease states such as schizophrenia and Alzheimer's disease.
MedKoo Cat#: 510297
Name: Idalopirdine HCl
CAS#: 467458-02-2 (HCl)
Chemical Formula: C20H20ClF5N2O
Exact Mass: 398.1418
Molecular Weight: 434.835
Elemental Analysis: C, 55.24; H, 4.64; Cl, 8.15; F, 21.85; N, 6.44; O, 3.68
Related CAS #: 467459-31-0 (free base) 467458-02-2 (HCl)
Synonym: Lu AE58054; Lu AE-58054; Lu AE 58054; Idalopirdine; Iladopirdine HCl; Iladopirdine hydrochloride
IUPAC/Chemical Name: 2-(6-fluoro-1H-indol-3-yl)-N-(3-(2,2,3,3-tetrafluoropropoxy)benzyl)ethanamine hydrochloride
InChi Key: KXOQNPANAFXKTN-UHFFFAOYSA-N
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
SMILES Code: FC1=CC2=C(C=C1)C(CCNCC3=CC=CC(OCC(F)(F)C(F)F)=C3)=CN2.[H]Cl
Appearance: White to off-white solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 434.835 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Witten L, Bang-Andersen B, Nielsen SM, Miller S, Christoffersen CT, Stensbøl TB, Brennum LT, Arnt J. Characterization of [³H]Lu AE60157 ([³H]8-(4-methylpiperazin-1-yl)-3-phenylsulfonylquinoline) binding to 5-hydroxytryptamine₆ (5-HT₆) receptors in vivo. Eur J Pharmacol. 2012 Feb 15;676(1-3):6-11. doi: 10.1016/j.ejphar.2011.11.029. Epub 2011 Dec 4. PubMed PMID: 22155399.
2: Arnt J, Bang-Andersen B, Grayson B, Bymaster FP, Cohen MP, DeLapp NW, Giethlen B, Kreilgaard M, McKinzie DL, Neill JC, Nelson DL, Nielsen SM, Poulsen MN, Schaus JM, Witten LM. Lu AE58054, a 5-HT6 antagonist, reverses cognitive impairment induced by subchronic phencyclidine in a novel object recognition test in rats. Int J Neuropsychopharmacol. 2010 Sep;13(8):1021-33. doi: 10.1017/S1461145710000659. Epub 2010 Jun 23. PubMed PMID: 20569520.
