MK-2048

MK-2048
	MK-2048
Clinical data
ATC code	none;
Legal status
Legal status	US: Investigational New Drug ;
Identifiers
	IUPAC name (6S)-2-[(3-chloro-4-fluorophenyl)methyl]-8-ethyl-9-hydroxy-N,6-dimethyl-1,10-dioxo-6,7-dihydropyrazino[3,4]pyrrolo[3,4-b]pyridazine-4-carboxamide;
CAS Number	869901-69-9 ;
PubChem CID	11554427;
ChemSpider	25058456;
UNII	LJ8U884TM5;
ChEMBL	ChEMBL1237018;
CompTox Dashboard (EPA)	DTXSID70236031 ;
ECHA InfoCard	100.233.568
Chemical and physical data
Formula	C21H21ClFN5O4
Molar mass	461.88 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCN1CC(N2C3=C(C(=O)C2=C1O)C(=O)N(N=C3C(=O)NC)CC4=CC(=C(C=C4)F)Cl)C;
	InChI InChI=1S/C21H21ClFN5O4/c1-4-26-8-10(2)28-16-14(18(29)17(28)21(26)32)20(31)27(25-15(16)19(30)24-3)9-11-5-6-13(23)12(22)7-11/h5-7,10,32H,4,8-9H2,1-3H3,(H,24,30)/t10-/m0/s1; Key:IOYLKNABOQYKKY-JTQLQIEISA-N;

MK-2048 is the Merck & Co. designation for a molecule in its pre-clinical drug discovery that is an integrase inhibitor-class of agent intended to be used against HIV infection.[1] It is a second generation integrase design thought to be superior to the first available integrase inhibitor, raltegravir, in that "MK-2048 has a dissociation half-life of 32 hours on wild-type integrase—more than four times that of raltegravir",[1][2] and its dissociation half-life against the important HIV integrase mutant N155H was on the same order of magnitude as that of raltegravir against wild-type virus, leading the Merck presenter to suggest the possibility of "reduced susceptibility to resistance mutations" for the second generation drug.[1] MK-2048 is being investigated for use as part of a pre-exposure prophylaxis (PrEP) approach to the treatment of HIV infection.[3] At the time of these reports, there was no indication of the time by which "MK-2048, or related compounds, [would] be ready for clinical trials".[1]

References

Mascolini, M. (April 17, 2009). "Conference Reports for NATAP: Merck Offers Unique Perspective on Second-Generation Integrase Inhibitor [10th International Workshop on Clinical Pharmacology of HIV Therapy, April 15–17, 2009, Amsterdam]". NATAP.org. Retrieved November 8, 2009.
Grobler, J.A., McKenna, P.M., Ly, S.; et al. (April 17, 2009), "Presentation, Abstract O-10: Functionally Irreversible Inhibition of Integration by Slowly Dissociating Strand Transfer Inhibitors. [10th International Workshop on Clinical Pharmacology of HIV Therapy, April 15–17, 2009, Amsterdam]", NATAP.orgCS1 maint: multiple names: authors list (link)
Alcorn, K. (April 28, 2009). "Ralvetgravir Shows Potential for use as PrEP Drug". AIDSmap.com. Archived from the original on January 3, 2010. Retrieved November 8, 2009.

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[NATAP200911-1] Mascolini, M. (April 17, 2009). "Conference Reports for NATAP: Merck Offers Unique Perspective on Second-Generation Integrase Inhibitor [10th International Workshop on Clinical Pharmacology of HIV Therapy, April 15–17, 2009, Amsterdam]". NATAP.org. Retrieved November 8, 2009.

[2] Grobler, J.A., McKenna, P.M., Ly, S.; et al. (April 17, 2009), "Presentation, Abstract O-10: Functionally Irreversible Inhibition of Integration by Slowly Dissociating Strand Transfer Inhibitors. [10th International Workshop on Clinical Pharmacology of HIV Therapy, April 15–17, 2009, Amsterdam]", NATAP.orgCS1 maint: multiple names: authors list (link)

[3] Alcorn, K. (April 28, 2009). "Ralvetgravir Shows Potential for use as PrEP Drug". AIDSmap.com. Archived from the original on January 3, 2010. Retrieved November 8, 2009.

MK-2048

Further reading

References