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MedKoo Cat#: 327024 | Name: Seltorexant
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Description:

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

Seltorexant, also known as JNJ-42847922 and MIN-202, is an orally active, high-affinity, and selective OX2R antagonist that has been shown to promote sleep in various species. Seltorexant shows antidepressant and sleep-promoting effects in patients with major depressive disorder and induces somnolence in healthy subjects without residual central effects.

Chemical Structure

Seltorexant
CAS#1293281-49-8

Theoretical Analysis

MedKoo Cat#: 327024

Name: Seltorexant

CAS#: 1293281-49-8

Chemical Formula: C21H22FN7O

Exact Mass: 407.1870

Molecular Weight: 407.45

Elemental Analysis: C, 61.90; H, 5.44; F, 4.66; N, 24.06; O, 3.93

Price and Availability

Size Price Availability Quantity
25mg USD 250.00 2 Weeks
50mg USD 450.00 2 Weeks
100mg USD 750.00 2 Weeks
200mg USD 1,250.00 2 Weeks
500mg USD 2,750.00 2 Weeks
1g USD 3,850.00 2 Weeks
2g USD 6,450.00 2 Weeks
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No Data
Synonym
Seltorexant; JNJ-42847922; JNJ 42847922; JNJ42847922; MIN-202; MIN 202; MIN202
IUPAC/Chemical Name
((3aR,6aS)-5-(4,6-dimethylpyrimidin-2-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)methanone
InChi Key
SQOCEMCKYDVLMM-IYBDPMFKSA-N
InChi Code
InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+
SMILES Code
O=C(N1C[C@@](CN(C2=NC(C)=CC(C)=N2)C3)([H])[C@@]3([H])C1)C4=C(N5N=CC=N5)C=CC=C4F
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
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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
Product Data
Product Data
Instruction
View handling instruction
Biological target:
Seltorexant is a selective OX2R antagonist (pKi values of 8.0 and 8.1 for human and rat OX2R).
In vitro activity:
To be determined
In vivo activity:
This study highlighted the potential of seltorexant as a candidate for insomnia treatment. In rats, single oral administration of seltorexant during the light phase reduced the latency to non-rapid eye movement (NREM) sleep and prolonged NREM sleep time in the first 2 hours; REM sleep was minimally affected. Seltorexant did not increase dopamine release in rat nucleus accumbens or produce place preference in mice after subchronic conditioning, indicating that the compound lacks intrinsic motivational properties in contrast to zolpidem. All sleep parameters returned to baseline levels following discontinuation. Reference: J Pharmacol Exp Ther. 2015 Sep;354(3):471-82. https://pubmed.ncbi.nlm.nih.gov/26177655/
Solvent mg/mL mM comments
Solubility
DMSO 25.0 61.36
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 407.45 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.

Recalculate based on batch purity %
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:
1. Ziemichód W, Kurowska A, Grabowska K, Kurowska M, Biała G. Characteristics of Seltorexant-Innovative Agent Targeting Orexin System for the Treatment of Depression and Anxiety. Molecules. 2023 Apr 19;28(8):3575. doi: 10.3390/molecules28083575. PMID: 37110810; PMCID: PMC10142100. 2. Bonaventure P, Shelton J, Yun S, Nepomuceno D, Sutton S, Aluisio L, Fraser I, Lord B, Shoblock J, Welty N, Chaplan SR, Aguilar Z, Halter R, Ndifor A, Koudriakova T, Rizzolio M, Letavic M, Carruthers NI, Lovenberg T, Dugovic C. Characterization of JNJ-42847922, a Selective Orexin-2 Receptor Antagonist, as a Clinical Candidate for the Treatment of Insomnia. J Pharmacol Exp Ther. 2015 Sep;354(3):471-82. doi: 10.1124/jpet.115.225466. Epub 2015 Jul 15. PMID: 26177655.
In vitro protocol:
To be determined
In vivo protocol:
1. Ziemichód W, Kurowska A, Grabowska K, Kurowska M, Biała G. Characteristics of Seltorexant-Innovative Agent Targeting Orexin System for the Treatment of Depression and Anxiety. Molecules. 2023 Apr 19;28(8):3575. doi: 10.3390/molecules28083575. PMID: 37110810; PMCID: PMC10142100. 2. Bonaventure P, Shelton J, Yun S, Nepomuceno D, Sutton S, Aluisio L, Fraser I, Lord B, Shoblock J, Welty N, Chaplan SR, Aguilar Z, Halter R, Ndifor A, Koudriakova T, Rizzolio M, Letavic M, Carruthers NI, Lovenberg T, Dugovic C. Characterization of JNJ-42847922, a Selective Orexin-2 Receptor Antagonist, as a Clinical Candidate for the Treatment of Insomnia. J Pharmacol Exp Ther. 2015 Sep;354(3):471-82. doi: 10.1124/jpet.115.225466. Epub 2015 Jul 15. PMID: 26177655.
1: Xiao W, Moncy JC, Ghazi-Noori AR, Woodham RD, Rezaei H, Bramon E, Ritter P, Bauer M, Young AH, Fu CHY. Enhanced network synchronization connectivity following transcranial direct current stimulation (tDCS) in bipolar depression: Effects on EEG oscillations and deep learning-based predictors of clinical remission. J Affect Disord. 2024 Sep 16:S0165-0327(24)01539-8. doi: 10.1016/j.jad.2024.09.054. Epub ahead of print. PMID: 39293596. 2: Ghazi-Noori AR, Woodham RD, Rezaei H, Sharif MS, Bramon E, Ritter P, Bauer M, Young AH, Fu CHY. Home-based transcranial direct current stimulation in bipolar depression: an open-label treatment study of clinical outcomes, acceptability and adverse events. Int J Bipolar Disord. 2024 Aug 20;12(1):30. doi: 10.1186/s40345-024-00352-9. PMID: 39162912; PMCID: PMC11336151. 3: Namiot ED, Smirnovová D, Sokolov AV, Chubarev VN, Tarasov VV, Schiöth HB. Depression clinical trials worldwide: a systematic analysis of the ICTRP and comparison with ClinicalTrials.gov. Transl Psychiatry. 2024 Jul 31;14(1):315. doi: 10.1038/s41398-024-03031-6. PMID: 39085220; PMCID: PMC11291508. 4: Hong JSW, Ostinelli EG, Kamvar R, Smith KA, Walsh AEL, Kabir T, Tomlinson A, Cipriani A. An online evidence-based dictionary of common adverse events of antidepressants: a new tool to empower patients and clinicians in their shared decision-making process. BMC Psychiatry. 2024 Jul 25;24(1):532. doi: 10.1186/s12888-024-05950-6. PMID: 39049079; PMCID: PMC11270875. 5: Rogdaki M, McCutcheon RA, D'Ambrosio E, Mancini V, Watson CJ, Fanshawe JB, Carr R, Telesia L, Martini MG, Philip A, Gilbert BJ, Salazar-de-Pablo G, Kyriakopoulos M, Siskind D, Correll CU, Cipriani A, Efthimiou O, Howes OD, Pillinger T. Comparative physiological effects of antipsychotic drugs in children and young people: a network meta-analysis. Lancet Child Adolesc Health. 2024 Jul;8(7):510-521. doi: 10.1016/S2352-4642(24)00098-1. PMID: 38897716. 6: Jelen LA, McShane R, Young AH. Guidelines for ketamine use in clinical psychiatry practice. BJPsych Open. 2024 May 10;10(3):e107. doi: 10.1192/bjo.2024.62. PMID: 38725375; PMCID: PMC11094435. 7: Haniff ZR, Bocharova M, Mantingh T, Rucker JJ, Velayudhan L, Taylor DM, Young AH, Aarsland D, Vernon AC, Thuret S. Psilocybin for dementia prevention? The potential role of psilocybin to alter mechanisms associated with major depression and neurodegenerative diseases. Pharmacol Ther. 2024 Jun;258:108641. doi: 10.1016/j.pharmthera.2024.108641. Epub 2024 Apr 6. PMID: 38583670. 8: Uğurlu M. Orexin Receptor Antagonists as Adjunct Drugs for the Treatment of Depression: A Mini Meta-Analysis. Noro Psikiyatr Ars. 2023 Jun 19;61(1):77-84. doi: 10.29399/npa.28383. PMID: 38496221; PMCID: PMC10943935. 9: Veal C, Tomlinson A, Cipriani A, Bulteau S, Henry C, Müh C, Touboul S, De Waal N, Levy-Soussan H, Furukawa TA, Fried EI, Tran VT, Chevance A. Heterogeneity of outcome measures in depression trials and the relevance of the content of outcome measures to patients: a systematic review. Lancet Psychiatry. 2024 Apr;11(4):285-294. doi: 10.1016/S2215-0366(23)00438-8. PMID: 38490761. 10: Brotschi C, Bolli MH, Gatfield J, Roch C, Sifferlen T, Treiber A, Williams JT, Boss C. Pyrazole derivatives as selective orexin-2 receptor antagonists (2-SORA): synthesis, structure-activity-relationship, and sleep-promoting properties in rats. RSC Med Chem. 2023 Nov 24;15(1):344-354. doi: 10.1039/d3md00573a. PMID: 38283232; PMCID: PMC10809354. 11: Efthimiou O, Taipale H, Radua J, Schneider-Thoma J, Pinzón-Espinosa J, Ortuño M, Vinkers CH, Mittendorfer-Rutz E, Cardoner N, Tanskanen A, Fusar-Poli P, Cipriani A, Vieta E, Leucht S, Tiihonen J, Luykx JJ. Efficacy and effectiveness of antipsychotics in schizophrenia: network meta-analyses combining evidence from randomised controlled trials and real-world data. Lancet Psychiatry. 2024 Feb;11(2):102-111. doi: 10.1016/S2215-0366(23)00366-8. Epub 2024 Jan 9. PMID: 38215784. 12: Sahker E, Furukawa TA, Luo Y, Ferreira ML, Okazaki K, Chevance A, Markham S, Ede R, Leucht S, Cipriani A, Salanti G. Estimating the smallest worthwhile difference of antidepressants: a cross-sectional survey. BMJ Ment Health. 2024 Jan 8;27(1):e300919. doi: 10.1136/bmjment-2023-300919. PMID: 38191234; PMCID: PMC10806871. 13: Cipriani A, Agunbiade A, Salanti G. Muscarinic drug shows efficacy in schizophrenia but much is left to be discovered. Lancet. 2024 Jan 13;403(10422):120-122. doi: 10.1016/S0140-6736(23)02415-7. Epub 2023 Dec 14. PMID: 38104578. 14: Guaiana G, Meader N, Barbui C, Davies SJ, Furukawa TA, Imai H, Dias S, Caldwell DM, Koesters M, Tajika A, Bighelli I, Pompoli A, Cipriani A, Dawson S, Robertson L. Pharmacological treatments in panic disorder in adults: a network meta-analysis. Cochrane Database Syst Rev. 2023 Nov 28;11(11):CD012729. doi: 10.1002/14651858.CD012729.pub3. PMID: 38014714; PMCID: PMC10683020. 15: Langholm C, Kowatsch T, Bucci S, Cipriani A, Torous J. Exploring the Potential of Apple SensorKit and Digital Phenotyping Data as New Digital Biomarkers for Mental Health Research. Digit Biomark. 2023 Aug 25;7(1):104-114. doi: 10.1159/000530698. PMID: 37901364; PMCID: PMC10601905. 16: Tonia T, Buitrago-Garcia D, Peter NL, Mesa-Vieira C, Li T, Furukawa TA, Cipriani A, Leucht S, Low N, Salanti G. Tool to assess risk of bias in studies estimating the prevalence of mental health disorders (RoB-PrevMH). BMJ Ment Health. 2023 Oct;26(1):e300694. doi: 10.1136/bmjment-2023-300694. PMID: 37899074; PMCID: PMC10619100. 17: Scala M, Fanelli G, De Ronchi D, Serretti A, Fabbri C. Clinical specificity profile for novel rapid acting antidepressant drugs. Int Clin Psychopharmacol. 2023 Sep 1;38(5):297-328. doi: 10.1097/YIC.0000000000000488. Epub 2023 Jun 30. PMID: 37381161; PMCID: PMC10373854. 18: Ziemichód W, Kurowska A, Grabowska K, Kurowska M, Biała G. Characteristics of Seltorexant-Innovative Agent Targeting Orexin System for the Treatment of Depression and Anxiety. Molecules. 2023 Apr 19;28(8):3575. doi: 10.3390/molecules28083575. PMID: 37110810; PMCID: PMC10142100. 19: Sariaslan A, Fanshawe T, Pitkänen J, Cipriani A, Martikainen P, Fazel S. Predicting suicide risk in 137,112 people with severe mental illness in Finland: external validation of the Oxford Mental Illness and Suicide tool (OxMIS). Transl Psychiatry. 2023 Apr 18;13(1):126. doi: 10.1038/s41398-023-02422-5. PMID: 37072392; PMCID: PMC10113231. 20: Cipriani A. What I stand for as BMJ Mental Health editor. BMJ Ment Health. 2023 Feb;26(1):e300664. doi: 10.1136/bmjment-2023-300664. PMID: 36792175; PMCID: PMC10035775.

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