MK-3697 - CAS 1224846-01-8
Catalog number: 1224846-01-8
Category: Inhibitor
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Molecular Formula:
C23H21N5O3S
Molecular Weight:
447.513
COA:
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Targets:
Orexin Receptor (OX Receptor)
Description:
MK3697 is a highly potent, orally bioavailable selective orexin 2 receptor antagonists (2-SORAs) that possess acceptable profiles for clinical development. MK-3697 is also the third insomnia product, 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.
Purity:
0.99
Appearance:
white solid powder
Synonyms:
MK-3697; MK3697; MK 3697.
MSDS:
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InChIKey:
VSOUDUXMPUHJEU-UHFFFAOYSA-N
InChI:
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)
Canonical SMILES:
CC1=CN=CC(=C1)C2=NC=C(C(=C2)C(=O)NCC3=NC(=C(C=C3)OC)OC)C4=NC=CS4
1.Discovery of MK-3697: a selective orexin 2 receptor antagonist (2-SORA) for the treatment of insomnia.
Roecker AJ1, Reger TS2, Mattern MC3, Mercer SP3, Bergman JM3, Schreier JD3, Cube RV3, Cox CD3, Li D3, Lemaire W4, Bruno JG4, Harrell CM5, Garson SL5, Gotter AL5, Fox SV6, Stevens J6, Tannenbaum PL6, Prueksaritanont T7, Cabalu TD7, Cui D7, Stellabott J8, H Bioorg Med Chem Lett. 2014 Oct 15;24(20):4884-90. doi: 10.1016/j.bmcl.2014.08.041. Epub 2014 Aug 26.
Orexin receptor antagonists have demonstrated clinical utility for the treatment of insomnia. The majority of clinical efforts to date have focused on the development of dual orexin receptor antagonists (DORAs), small molecules that antagonize both the orexin 1 and orexin 2 receptors. Our group has recently disclosed medicinal chemistry efforts to identify highly potent, orally bioavailable selective orexin 2 receptor antagonists (2-SORAs) that possess acceptable profiles for clinical development. Herein we report additional SAR studies within the 'triaryl' amide 2-SORA series focused on improvements in compound stability in acidic media and time-dependent inhibition of CYP3A4. These studies resulted in the discovery of 2,5-disubstituted isonicotinamide 2-SORAs such as compound 24 that demonstrated improved stability and TDI profiles as well as excellent sleep efficacy across species.
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Chemical Structure

CAS 1224846-01-8 MK-3697

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