WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H121086
CAS#: 1435480-40-2
Description: Nivasorexant is an orexinreceptor antagonist. In vitro, nivasorexant inhibited CYP2C9, 2C19, and 3A4 in competitive inhibition assays with IC50 values of 8.6, 1.6, and 19-44 μM, respectively, while showing a significant time-dependent CYP2C19 inhibition. In 22 subjects, exposure to flurbiprofen, omeprazole, and midazolam was generally higher during concomitant single- (i.e., area under the plasma concentration-time curve [AUC] ratio increased by 1.04-, 2.05-, and 1.56-fold, respectively) and repeated-dose (i.e., AUC ratio increased by 1.47-, 6.84-, and 3.71-fold, respectively) nivasorexant administration compared with the cocktail substrates administered alone.
Hodoodo Cat#: H121086
Name: Nivasorexant
CAS#: 1435480-40-2
Chemical Formula: C23H23N7O2
Exact Mass: 429.19
Molecular Weight: 429.480
Elemental Analysis: C, 64.32; H, 5.40; N, 22.83; O, 7.45
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Synonym: Nivasorexant; ACT-539313; ACT 539313; ACT539313;
IUPAC/Chemical Name: (R)-(3-(3-(2H-1,2,3-triazol-2-yl)benzyl)morpholino)(4-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
InChi Key: GKPHAIOJCHBZCT-HXUWFJFHSA-N
InChi Code: InChI=1S/C23H23N7O2/c1-17-5-6-21(22(13-17)30-26-9-10-27-30)23(31)28-11-12-32-16-20(28)15-18-3-2-4-19(14-18)29-24-7-8-25-29/h2-10,13-14,20H,11-12,15-16H2,1H3/t20-/m1/s1
SMILES Code: O=C(C1=C(N2N=CC=N2)C=C(C)C=C1)N3CCOC[C@H]3CC4=CC(N5N=CC=N5)=CC=C4
Appearance: To be determined
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: The orexin system consists of two neuropeptides (orexins A and B) and two receptors (OX1 and OX2). Selective OX1 receptor antagonists (SO1RA) are gaining interest for their potential use in the treatment of CNS disorders, including substance abuse, eating, obsessive compulsive, or anxiety disorders. While blocking OX2 reduces wakefulness, the expected advantage of selectively antagonizing OX1 is the ability to achieve clinical efficacy without the promotion of sleep.
Biological target: | |
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The following data is based on the product molecular weight 429.48 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: Williams JT, Bolli MH, Brotschi C, Sifferlen T, Steiner MA, Treiber A, Gatfield J, Boss C. Discovery of Nivasorexant (ACT-539313): The First Selective Orexin-1 Receptor Antagonist (SO1RA) Investigated in Clinical Trials. J Med Chem. 2024 Feb 8. doi: 10.1021/acs.jmedchem.3c01894. Epub ahead of print. PMID: 38331429.
2: Bergamini G, Durkin S, Steiner MA. Selective orexin 1 receptor antagonism does not affect effort-based responding for sucrose reward in rats. J Psychopharmacol. 2024 Feb 7:2698811241229523. doi: 10.1177/02698811241229523. Epub ahead of print. PMID: 38327032.
3: McElroy SL, Coloma PM, Berger B, Guerdjikova AI, Joyce JM, Liebowitz MR, Pain S, Rabasa C. Efficacy, safety, and tolerability of nivasorexant in adults with binge-eating disorder: A randomized, Phase II proof of concept trial. Int J Eat Disord. 2023 Nov;56(11):2120-2130. doi: 10.1002/eat.24039. Epub 2023 Aug 16. PMID: 37584285.
4: Berger B, Kaufmann P, Berse M, Treiber A, Grignaschi N, Dingemanse J. Effect of nivasorexant (ACT-539313), a selective orexin-1-receptor antagonist, on multiple cytochrome P450 probe substrates in vitro and in vivo using a cocktail approach in healthy subjects. Pharmacol Res Perspect. 2023 Oct;11(5):e01143. doi: 10.1002/prp2.1143. PMID: 37800597; PMCID: PMC10557102.