MK-2748

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H56N6O10S
Molecular Weight	836.993
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C(C=C1)C(=O)N3CCCCC[C@@H]4CCC[C@H]4OC(=O)N[C@@H](C5CCCC5)C(=O)N6C[C@@H](C[C@H]6C(=O)N[C@@]7(C[C@H]7C=C)C(=O)NS(=O)(=O)C8(C)CC8)OC3=N2

InChI

InChIKey=HMYVZDWJFQOHCD-XEZGQWAWSA-N

InChI=1S/C42H56N6O10S/c1-4-27-23-42(27,38(52)46-59(54,55)41(2)18-19-41)45-35(49)32-22-29-24-48(32)37(51)34(26-12-7-8-13-26)44-40(53)58-33-15-10-14-25(33)11-6-5-9-20-47-36(50)30-17-16-28(56-3)21-31(30)43-39(47)57-29/h4,16-17,21,25-27,29,32-34H,1,5-15,18-20,22-24H2,2-3H3,(H,44,53)(H,45,49)(H,46,52)/t25-,27-,29-,32+,33-,34+,42-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C42H56N6O10S
Molecular Weight	836.993
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25759009 | https://www.ncbi.nlm.nih.gov/pubmed/30528183

MK-2748 is hepatitis C Virus NS3/4a Protease Inhibitor patented by pharmaceutical company Merck & Co Co for the treatment of hepatitis C virus infection.

Originator

Approval Year

PubMed

Title	Date	PubMed
P2-quinazolinones and bis-macrocycles as new templates for next-generation hepatitis C virus NS3/4a protease inhibitors: discovery of MK-2748 and MK-6325.	2015 Apr	25759009

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:02:01 GMT 2023` Edited by `admin` on `Sat Dec 16 11:02:01 GMT 2023`
Record UNII	7YM030A71C
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MK-2748

Common Name

English

(3R,20R,24R,28S,34Z,36S,38R,41S)-N-(CYCLOPROPYLSULFONYL)-9-METHOXY-26,40,42-TRIOXO-4,25-DIOXA-1,6,13,27,39-PENTAAZAHEPTACYCLO(26.13.1.1(SUP 3,41).0(SUP 5,14).0(SUP 7,12).0(SUP 20,24).0(SUP 36,38))TRITETRACONTA-5,7,9,11,13,34-HEXAENE-38-CARBOXAMIDE

Systematic Name

English

CYCLOPROPANECARBOXAMIDE, (2S)-2-CYCLOPENTYL-N-((((1R,2R)-2-(5-(2-HYDROXY-7-METHOXY-4-OXO-3(4H)-QUINAZOLINYL)PENTYL)CYCLOPENTYL)OXY)CARBONYL)GLYCYL-(4R)-4-HYDROXY-L-PROLYL-1-AMINO-2-ETHENYL-N-((1-METHYLCYCLOPROPYL)SULFONYL)-, CYCLIC (1->2)-ETHER, (1R,2S)-

Systematic Name

English

MK2748

Code

English

Code System Code Type Description

DRUG BANK

DB15371