WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H414637
CAS#: 1517965-94-4 (free base)
Description: Vornorexant, also known as ORN-0829 and TS-142, is a potent dual orexin 1/2 receptor antagonist for the treatment of insomnia. Vornorexant is a dual orexin OX1 and OX2 receptor antagonist (DORA). Vornorexant has a time to peak of 2.5 hours and a relatively short elimination half-life of 1.3 to 3.3 hours. It was designed to have a short half-life and duration in order to reduce next-day side effects like
Hodoodo Cat#: H414637
Name: Vornorexant free base
CAS#: 1517965-94-4 (free base)
Chemical Formula: C23H22FN7O2
Exact Mass: 447.18
Molecular Weight: 447.470
Elemental Analysis: C, 61.74; H, 4.96; F, 4.25; N, 21.91; O, 7.15
Related CAS #: 1517965-94-4 (free base) 2265899-49-6 (deleted) 2265899-50-9 (0.45 hydrate) 1793073-92-3 (hydrate)
Synonym: Vornorexant free base; ORN0829; ORN 0829; ORN-0829; TS-142; TS 142; TS142;
IUPAC/Chemical Name: Methanone, ((2S)-2-((3-(5-fluoro-2-pyridinyl)-1H-pyrazol-1-yl)methyl)dihydro-2H-1,3-oxazin-3(4H)-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)-
InChi Key: AEZZJXJIJFSUEM-QFIPXVFZSA-N
InChi Code: InChI=1S/C23H22FN7O2/c1-16-3-6-21(31-26-8-9-27-31)18(13-16)23(32)30-10-2-12-33-22(30)15-29-11-7-20(28-29)19-5-4-17(24)14-25-19/h3-9,11,13-14,22H,2,10,12,15H2,1H3/t22-/m0/s1
SMILES Code: O=C(N1[C@H](CN2N=C(C3=NC=C(F)C=C3)C=C2)OCCC1)C4=CC(C)=CC=C4N5N=CC=N5
Appearance: 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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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
More Info:
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The following data is based on the product molecular weight 447.47 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Uchiyama M, Kambe D, Imadera Y, Kajiyama Y, Ogo H, Uchimura N. Effects of TS-142, a novel dual orexin receptor antagonist, on sleep in patients with insomnia: a randomized, double-blind, placebo-controlled phase 2 study. Psychopharmacology (Berl). 2022 Jul;239(7):2143-2154. doi: 10.1007/s00213-022-06089-6. Epub 2022 Mar 17. PMID: 35296912; PMCID: PMC9205809.
2: Futamura A, Suzuki R, Tamura Y, Kawamoto H, Ohmichi M, Hino N, Tokumaru Y, Kirinuki S, Hiyoshi T, Aoki T, Kambe D, Nozawa D. Discovery of ORN0829, a potent dual orexin 1/2 receptor antagonist for the treatment of insomnia. Bioorg Med Chem. 2020 Jul 1;28(13):115489. doi: 10.1016/j.bmc.2020.115489. Epub 2020 Apr 11. PMID: 32482533.
