WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 300141
CAS#: 913358-93-7(Almorexant HCl), 871224-64-5 (Almorexant).
Description: Almorexant HCl, also known as ACT-078573, is an orexin antagonist, functioning as a competitive receptor antagonist of the OX1 and OX2 orexin receptors, which was being developed by the pharmaceutical companies Actelion and GSK for the treatment of insomnia. Development of the drug was abandoned in January 2011. Almorexant is a competitive, dual OX1 and OX2 receptor antagonist and selectively inhibits the functional consequences of OX1 and OX2 receptor activation, such as intracellular Ca2+ mobilization.
MedKoo Cat#: 300141
Name: Almorexant HCl
CAS#: 913358-93-7(Almorexant HCl), 871224-64-5 (Almorexant).
Chemical Formula: C29H32ClF3N2O3
Exact Mass:
Molecular Weight: 549.03
Elemental Analysis: C, 63.44; H, 5.88; Cl, 6.46; F, 10.38; N, 5.10; O, 8.74
Almorexant HCl purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.
Related CAS #: 913358-93-7(Almorexant HCl) 871224-64-5 (Almorexant).
Synonym: ACT078573; ACT 078573; ACT-078573; Almorexant; Almorexant HCl.
IUPAC/Chemical Name: (R)-2-((S)-6,7-dimethoxy-1-(4-(trifluoromethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide hydrochloride
InChi Key: BYGBTDRDPBJUBB-LHIMUUITSA-N
InChi Code: 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
SMILES Code: O=C([C@H](N1CCC2=C([C@@H]1CCC3=CC=C(C=C3)C(F)(F)F)C=C(C(OC)=C2)OC)C4=CC=CC=C4)NC.[H]Cl
The following data is based on the product molecular weight 549.03 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: Steiner MA, Lecourt H, Strasser DS, Brisbare-Roch C, Jenck F. Differential Effects of the Dual Orexin Receptor Antagonist Almorexant and the GABA(A)-α1 Receptor Modulator Zolpidem, Alone or Combined with Ethanol, on Motor Performance in the Rat. Neuropsychopharmacology. 2010 Dec 8. [Epub ahead of print] PubMed PMID: 21150905.
2: Sukys-Claudino L, Moraes WA, Tufik S, Poyares D. [The newer sedative-hypnotics.]. Rev Bras Psiquiatr. 2010 Sep;32(3):288-93. Portuguese. PubMed PMID: 20945020.
3: Hoch M, Hoever P, Haschke M, Krähenbühl S, Dingemanse J. Food Effect and Biocomparison of Two Formulations of the Dual Orexin Receptor Antagonist Almorexant in Healthy Male Subjects. J Clin Pharmacol. 2010 Sep 17. [Epub ahead of print] PubMed PMID: 20852003.
4: Dietrich H, Jenck F. Intact learning and memory in rats following treatment with the dual orexin receptor antagonist almorexant. Psychopharmacology (Berl). 2010 Oct;212(2):145-54. Epub 2010 Jul 15. PubMed PMID: 20631993; PubMed Central PMCID: PMC2937139.
5: Li A, Nattie E. Antagonism of rat orexin receptors by almorexant attenuates central chemoreception in wakefulness in the active period of the diurnal cycle. J Physiol. 2010 Aug 1;588(Pt 15):2935-44. Epub 2010 Jun 14. PubMed PMID: 20547681; PubMed Central PMCID: PMC2956908.
6: Gatfield J, Brisbare-Roch C, Jenck F, Boss C. Orexin receptor antagonists: a new concept in CNS disorders? ChemMedChem. 2010 Aug 2;5(8):1197-214. Review. PubMed PMID: 20544785.
7: Malherbe P, Roche O, Marcuz A, Kratzeisen C, Wettstein JG, Bissantz C. Mapping the binding pocket of dual antagonist almorexant to human orexin 1 and orexin 2 receptors: comparison with the selective OX1 antagonist SB-674042 and the selective OX2 antagonist N-ethyl-2-[(6-methoxy-pyridin-3-yl)-(toluene-2-sulfonyl)-amino]-N-pyridin-3-ylmet hyl-acetamide (EMPA). Mol Pharmacol. 2010 Jul;78(1):81-93. Epub 2010 Apr 19. PubMed PMID: 20404073.
8: Hoever P, de Haas S, Winkler J, Schoemaker RC, Chiossi E, van Gerven J, Dingemanse J. Orexin receptor antagonism, a new sleep-promoting paradigm: an ascending single-dose study with almorexant. Clin Pharmacol Ther. 2010 May;87(5):593-600. Epub 2010 Apr 7. PubMed PMID: 20376002.
9: LeSage MG, Perry JL, Kotz CM, Shelley D, Corrigall WA. Nicotine self-administration in the rat: effects of hypocretin antagonists and changes in hypocretin mRNA. Psychopharmacology (Berl). 2010 Apr;209(2):203-12. Epub 2010 Feb 24. PubMed PMID: 20177882.
10: Sifferlen T, Boss C, Cottreel E, Koberstein R, Gude M, Aissaoui H, Weller T, Gatfield J, Brisbare-Roch C, Jenck F. Novel pyrazolo-tetrahydropyridines as potent orexin receptor antagonists. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1539-42. Epub 2010 Jan 22. PubMed PMID: 20144866.