Suvorexant

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

MedKoo CAT#: 510268

CAS#: 1030377-33-3

Description: Suvorexant, also known as MK-4305, is a discontinued (DEA controlled substance) biochemical.


Chemical Structure

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Suvorexant
CAS# 1030377-33-3

Theoretical Analysis

MedKoo Cat#: 510268
Name: Suvorexant
CAS#: 1030377-33-3
Chemical Formula: C23H23ClN6O2
Exact Mass: 450.1571
Molecular Weight: 450.92072
Elemental Analysis: C, 61.26; H, 5.14; Cl, 7.86; N, 18.64; O, 7.10

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Pricing updated 2021-03-02. Prices are subject to change without notice.

Suvorexant was discontinued (DEA controlled substance schedule IV).

Synonym: MK4305; MK 4305; MK-4305; Suvorexant

IUPAC/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.

InChi Key: JYTNQNCOQXFQPK-MRXNPFEDSA-N

InChi Code: 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

SMILES Code: O=C(N1CCN(C2=NC3=CC(Cl)=CC=C3O2)CC[C@H]1C)C4=CC(C)=CC=C4N5N=CC=N5

Appearance:
white to off-white 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, not in water

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

Preparing Stock Solutions

The following data is based on the product molecular weight 450.92072 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.

Select a batch to recalculate based on the batch molecular weight:
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

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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: Hoyer D, Dürst T, Fendt M, Jacobson LH, Betschart C, Hintermann S, Behnke D, Cotesta S, Laue G, Ofner S, Legangneux E, Gee CE. Distinct effects of IPSU and suvorexant on mouse sleep architecture. Front Neurosci. 2013 Dec 10;7:235. doi: 10.3389/fnins.2013.00235. eCollection 2013. PubMed PMID: 24368893; PubMed Central PMCID: PMC3857892.

3: Sun H, Kennedy WP, Wilbraham D, Lewis N, Calder N, Li X, Ma J, Yee KL, Ermlich S, Mangin E, Lines C, Rosen L, Chodakewitz J, Murphy GM. Effects of suvorexant, an orexin receptor antagonist, on sleep parameters as measured by polysomnography in healthy men. Sleep. 2013 Feb 1;36(2):259-67. doi: 10.5665/sleep.2386. PubMed PMID: 23372274; PubMed Central PMCID: PMC3542986.

4: 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.

5: 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.

6: 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.

7: Winrow CJ, Gotter AL, Cox CD, Doran SM, Tannenbaum PL, Breslin MJ, Garson SL, Fox SV, Harrell CM, Stevens J, Reiss DR, Cui D, Coleman PJ, Renger JJ. Promotion of sleep by suvorexant-a novel dual orexin receptor antagonist. J Neurogenet. 2011 Mar;25(1-2):52-61. doi: 10.3109/01677063.2011.566953. Epub 2011 Apr 8. PubMed PMID: 21473737.



Additional Information