Vornorexant hydrate | CAS#1793073-92-3 | Orexin antagonist

MedKoo Cat#: 414638 | Name: Vornorexant hydrate

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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

Chemical Structure

Vornorexant hydrate

CAS#1793073-92-3 (hydrate)

Theoretical Analysis

MedKoo Cat#: 414638

Name: Vornorexant hydrate

CAS#: 1793073-92-3 (hydrate)

Chemical Formula: C23H24FN7O3

Exact Mass:

Molecular Weight: 465.49

Elemental Analysis: C, 59.35; H, 5.20; F, 4.08; N, 21.06; O, 10.31

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

1517965-94-4 (free base) 2265899-49-6 (deleted) 2265899-50-9 (0.45 hydrate) 1793073-92-3 (hydrate)

Synonym

ORN-0829 hydrate; ORN0829; ORN 0829; ORN-0829; TS-142; TS 142; TS142; Vornorexant;

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)-, hydrate (1:1)

InChi Key

UFULGSDLQZYMCH-FTBISJDPSA-N

InChi Code

InChI=1S/C23H22FN7O2.H2O/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;1H2/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.[H]O[H]

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 465.49 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: 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.