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Seltorexant

Catalog No: 81498
CAS Number: 1293281-49-8
Purity: 98% Min.

Seltorexant, also known as JNJ-42847922 and MIN-202, is a selective orexin-2 receptor antagonist that has been shown to promote sleep in various species. Emerging research indicates that selective orexin-2 receptor (OX2R) antagonists may offer specificity and a more adequate sleep profile by preserving normal sleep architecture.


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Chemical Information

NameSeltorexant
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
Synonyms Seltorexant; JNJ-42847922; JNJ 42847922; JNJ42847922; MIN-202; MIN 202; MIN202
Molecular FormulaC21H22FN7O
Molecular Weight407.4534
SmileO=C(N1C[C@@](CN(C2=NC(C)=CC(C)=N2)C3)([H])[C@@]3([H])C1)C4=C(N5N=CC=N5)C=CC=C4F
InChiKeySQOCEMCKYDVLMM-IYBDPMFKSA-N
InChi 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+
CAS Number1293281-49-8
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Ordering Information

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FormulationSolid powder
Purity98% Min.
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
SolubilitySoluble in DMSO
Handling
Shipping ConditionShipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
HS Code
Coming soon.
Targets
Mechanism
Cell study
Animal study
Clinical study

1: 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. PubMed PMID: 26177655.

2: Letavic MA, Bonaventure P, Carruthers NI, Dugovic C, Koudriakova T, Lord B, Lovenberg TW, Ly KS, Mani NS, Nepomuceno D, Pippel DJ, Rizzolio M, Shelton JE, Shah CR, Shireman BT, Young LK, Yun S. Novel Octahydropyrrolo[3,4-c]pyrroles Are Selective Orexin-2 Antagonists: SAR Leading to a Clinical Candidate. J Med Chem. 2015 Jul 23;58(14):5620-36. doi: 10.1021/acs.jmedchem.5b00742. Epub 2015 Jul 8. PubMed PMID: 26087021.


Chemical Structure

81498 - Seltorexant | CAS 1293281-49-8

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