Suvorexant, also known as MK-4305, CAS No. 1030377-33-3, is a discontinued (DEA controlled substance) biochemical.

Product information

CAS Number: 1030377-33-3

Molecular Weight: 450.92

Formula: C23H23ClN6O2

Synonym:

Suvorexant

MK4305

MK 4305

MK-4305

Chemical Name: (R)-(4-(5-chlorobenzo[d]oxazol-2-yl)-7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone.

Smiles: CC1C=C(C(=CC=1)N1N=CC=N1)C(=O)N1CCN(CC[C@H]1C)C1=NC2=CC(Cl)=CC=C2O1

InChiKey: JYTNQNCOQXFQPK-MRXNPFEDSA-N

InChi: InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1

Technical Data

Appearance: white to off-white solid powder

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: Soluble in DMSO, not in water

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined.

HS Tariff Code: 382200

References:

1. McGaughey G, Bayly CI, Cox CD, Schreier JD, Breslin MJ, Bogusky M, Pitzenberger S, Ball R, Coleman PJ. Shaping suvorexant: application of experimental and theoretical methods for driving synthetic designs. J Comput Aided Mol Des. 2014 Jan;28(1):5-12. doi: 10.1007/s10822-014-9710-x. Epub 2014 Feb 1. PubMed PMID: 24488306; PubMed Central PMCID: PMC3927067.
2. Strotman NA, Baxter CA, Brands KM, Cleator E, Krska SW, Reamer RA, Wallace DJ, Wright TJ. Reaction development and mechanistic study of a ruthenium catalyzed intramolecular asymmetric reductive amination en route to the dual Orexin inhibitor Suvorexant (MK-4305). J Am Chem Soc. 2011 Jun 1;133(21):8362-71. doi: 10.1021/ja202358f. Epub 2011 May 11. PubMed PMID: 21528938.
3. Herring WJ, Snyder E, Budd K, Hutzelmann J, Snavely D, Liu K, Lines C, Roth T, Michelson D. Orexin receptor antagonism for treatment of insomnia: a randomized clinical trial of suvorexant. Neurology. 2012 Dec 4;79(23):2265-74. doi: 10.1212/WNL.0b013e31827688ee. Epub 2012 Nov 28. PubMed PMID: 23197752.
4. Hopkins CR. ACS chemical neuroscience molecule spotlight on Suvorexant. ACS Chem Neurosci. 2012 Sep 19;3(9):647-8. Review. PubMed PMID: 23024835; PubMed Central PMCID: PMC3447389.

Products are for research use only. Not for human use.