Almorexant hydrochloride

For research use only, not for therapeutic use.

  • CAT Number: I005446
  • CAS Number: 913358-93-7
  • Molecular Formula: C29H31F3N2O3 • HCl
  • Molecular Weight: 549.02
  • Purity: ≥95%
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Almorexant hydrochloride (Cat No.:I005446) is a dual orexin receptor antagonist (DORA) that targets the orexin system in the brain. Orexins, also known as hypocretins, are neuropeptides that regulate wakefulness and sleep-wake cycles. By blocking the orexin receptors, almorexant hydrochloride promotes sleep and has sedative effects. It has been investigated for the treatment of insomnia and sleep disorders. Almorexant hydrochloride has shown efficacy in improving sleep parameters and increasing total sleep time in clinical trials. It is a promising candidate for the development of new sleep medications and may provide an alternative to traditional sedative-hypnotic drugs.


Catalog Number I005446
CAS Number 913358-93-7
Synonyms

ACT078573

Molecular Formula C29H31F3N2O3 • HCl
Purity ≥95%
Target OX Receptor
Solubility DMSO: ≥ 46 mg/mL
Storage Store at +4C
Related CAS 871224-64-5(free base)
IC50 1.3/0.7 nM(OX1/OX2 receptor)
IUPAC Name (2R)-2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide;hydrochloride
InChI InChI=1S/C29H31F3N2O3.ClH/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32;/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35);1H/t24-,27+;/m0./s1
InChIKey BYGBTDRDPBJUBB-LHIMUUITSA-N
SMILES CNC(=O)[C@@H](C1=CC=CC=C1)N2CCC3=CC(=C(C=C3[C@@H]2CCC4=CC=C(C=C4)C(F)(F)F)OC)OC.Cl
Reference

1: Cruz HG, Hay JL, Hoever P, Alessi F, te Beek ET, van Gerven JM, Dingemanse J.
Pharmacokinetic and pharmacodynamic interactions between almorexant, a dual
orexin receptor antagonist, and desipramine. Eur Neuropsychopharmacol. 2014
Aug;24(8):1257-68. doi: 10.1016/j.euroneuro.2014.05.002. Epub 2014 May 13. PubMed
PMID: 24880753. <br />
2: Dingemanse J, Cruz HG, Gehin M, Hoever P. Pharmacokinetic interactions between
the orexin receptor antagonist almorexant and the CYP3A4 inhibitors ketoconazole
and diltiazem. J Pharm Sci. 2014 May;103(5):1548-56. doi: 10.1002/jps.23916. Epub
2014 Mar 6. PubMed PMID: 24604243. <br />
3: Hoch M, Hoever P, Theodor R, Dingemanse J. Almorexant effects on CYP3A4
activity studied by its simultaneous and time-separated administration with
simvastatin and atorvastatin. Eur J Clin Pharmacol. 2013 Jun;69(6):1235-45. doi:
10.1007/s00228-012-1470-8. Epub 2013 Jan 20. PubMed PMID: 23334403. <br />
4: Hoch M, Hay JL, Hoever P, de Kam ML, te Beek ET, van Gerven JM, Dingemanse J.
Dual orexin receptor antagonism by almorexant does not potentiate impairing
effects of alcohol in humans. Eur Neuropsychopharmacol. 2013 Feb;23(2):107-17.
doi: 10.1016/j.euroneuro.2012.04.012. Epub 2012 May 30. PubMed PMID: 22658401. <br />
5: Hoch M, Hoever P, Alessi F, Marjason J, Dingemanse J. Pharmacokinetics and
tolerability of almorexant in Japanese and Caucasian healthy male subjects.
Pharmacology. 2011;88(3-4):121-6. doi: 10.1159/000330098. Epub 2011 Aug 25.
PubMed PMID: 21865769. <br />
6: Neubauer DN. Almorexant, a dual orexin receptor antagonist for the treatment
of insomnia. Curr Opin Investig Drugs. 2010 Jan;11(1):101-10. Review. PubMed
PMID: 20047164.

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