| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H31F3N2O3 |
| Molecular Weight | 512.5632 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC(=O)[C@H](N1CCC2=C(C=C(OC)C(OC)=C2)[C@@H]1CCC3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4
InChI
InChIKey=DKMACHNQISHMDN-RPLLCQBOSA-N
InChI=1S/C29H31F3N2O3/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)/t24-,27+/m0/s1
| Molecular Formula | C29H31F3N2O3 |
| Molecular Weight | 512.5632 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Almorexant (ACT-078573) is an orally active dual orexin receptor antagonist that is being developed by Actelion Ltd, in collaboration with GlaxoSmithKline plc, for the treatment of primary insomnia. Almorexant is a first-in-class compound that targets the orexin system, which plays a key role in wake promotion and stabilization; In January 2011, GlaxoSmithKline (GSK) and Actelion Ltd announced that clinical development of Phase III of almorexant has been discontinued. This decision follows a review of data from additional clinical studies, which were conducted to further establish the clinical profile of almorexant, including the tolerability profile.
CNS Activity
Originator
Approval Year
Sourcing
PubMed
Patents
Sample Use Guides
Almorexant 200mg or matching placebo (double-blind) was administered orally once daily in the morning for 10 days
Route of Administration:
Oral
Almorexant inhibits intracellular calcium release in HEK-293 cells expressing either Ox-R1 or Ox-R2. Using the fluorescence based calcium mobilization assay in Human Embryonic Kidney Cells (HEK Cells), full dose-response curves were generated for orexin-A at Ox-and orexin-B at Ox-R2. Almorexant alone did not induce intracellular calcium release at either Ox-R1 or Ox-R2. However Orexin-B (10 nM) induced changes in intracellular calcium fluorescence at the Ox-R2 receptor, were dose-dependently inhibited by almorexant (concentration range: 10 pM-100 µM).
