WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 510214
CAS#: 1224846-01-8
Description: MK-3697 is a highly potent, orally bioavailable selective orexin 2 receptor antagonists . MK-3697 is also the third insomnia drug, currently being developed by Merck. MK-3697 has Ki = 0.95 nM. Orexin receptor antagonists have demonstrated clinical utility for the treatment of insomnia. In vivo tests results on MK-3697 demonstrated improved stability and TDI profiles as well as excellent sleep efficacy across species.
MedKoo Cat#: 510214
Name: MK-3697
CAS#: 1224846-01-8
Chemical Formula: C23H21N5O3S
Exact Mass: 447.13651
Molecular Weight: 447.51
Elemental Analysis: C, 61.73; H, 4.73; N, 15.65; O, 10.73; S, 7.17
Synonym: MK3697; MK-3697; MK 3697.
IUPAC/Chemical Name: N-((5,6-dimethoxypyridin-2-yl)methyl)-5'-methyl-5-(thiazol-2-yl)-[2,3'-bipyridine]-4-carboxamide.
InChi Key: VSOUDUXMPUHJEU-UHFFFAOYSA-N
InChi Code: InChI=1S/C23H21N5O3S/c1-14-8-15(11-24-10-14)19-9-17(18(13-26-19)23-25-6-7-32-23)21(29)27-12-16-4-5-20(30-2)22(28-16)31-3/h4-11,13H,12H2,1-3H3,(H,27,29)
SMILES Code: O=C(C1=CC(C2=CC(C)=CN=C2)=NC=C1C3=NC=CS3)NCC4=NC(OC)=C(OC)C=C4
Appearance: 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
The following data is based on the product molecular weight 447.51 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 |
1: Roecker AJ, Reger TS, Mattern MC, Mercer SP, Bergman JM, Schreier JD, Cube RV, Cox CD, Li D, Lemaire W, Bruno JG, Harrell CM, Garson SL, Gotter AL, Fox SV, Stevens J, Tannenbaum PL, Prueksaritanont T, Cabalu TD, Cui D, Stellabott J, Hartman GD, Young SD, Winrow CJ, Renger JJ, Coleman PJ. Discovery of MK-3697: A selective orexin 2 receptor antagonist (2-SORA) for the treatment of insomnia. Bioorg Med Chem Lett. 2014 Oct 15;24(20):4884-90. doi: 10.1016/j.bmcl.2014.08.041. Epub 2014 Aug 26. PubMed PMID: 25248679.
