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

1 2 3 4 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 JA, McKenna PM, 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.org{{citation}}: CS1 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.

This article is issued from Offline. The text is licensed under Creative Commons - Attribution - Sharealike. Additional terms may apply for the media files.

[NATAP200911-1] 1 2 3 4 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 JA, McKenna PM, 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.org{{citation}}: CS1 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.

[1]

[2]

[3]