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MedKoo Cat#: 555196 | Name: MK-4882

Description:

WARNING: This product is for research use only, not for human or veterinary use.

MK-4882 is a potent HCV NS5A inhibitor.

Chemical Structure

MK-4882
MK-4882
CAS#1246470-32-5

Theoretical Analysis

MedKoo Cat#: 555196

Name: MK-4882

CAS#: 1246470-32-5

Chemical Formula: C42H50N8O7

Exact Mass: 778.3802

Molecular Weight: 778.91

Elemental Analysis: C, 64.77; H, 6.47; N, 14.39; O, 14.38

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
MK-4882; MK 4882; MK4882.
IUPAC/Chemical Name
methyl ((S)-1-((S)-2-(5-(4-(5-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)benzofuran-2-yl)phenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
InChi Key
QKFUCROVTLGTAV-VOIOCNMVSA-N
InChi Code
InChI=1S/C42H50N8O7/c1-23(2)35(47-41(53)55-5)39(51)49-17-7-9-31(49)37-43-21-29(45-37)25-11-13-26(14-12-25)34-20-28-19-27(15-16-33(28)57-34)30-22-44-38(46-30)32-10-8-18-50(32)40(52)36(24(3)4)48-42(54)56-6/h11-16,19-24,31-32,35-36H,7-10,17-18H2,1-6H3,(H,43,45)(H,44,46)(H,47,53)(H,48,54)/t31-,32-,35-,36-/m0/s1
SMILES Code
O=C(OC)N[C@H](C(N1[C@H](C2=NC=C(C3=CC=C(C4=CC5=CC(C6=CN=C([C@H]7N(C([C@@H](NC(OC)=O)C(C)C)=O)CCC7)N6)=CC=C5O4)C=C3)N2)CCC1)=O)C(C)C
Appearance
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
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 778.91 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.

Recalculate based on batch purity %
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: Yu W, Vibulbhan B, Rosenblum SB, Martin GS, Vellekoop AS, Holst CL, Coburn CA, Wong M, Selyutin O, Ji T, Zhong B, Hu B, Chen L, Dwyer MP, Jiang Y, Nair AG, Tong L, Zeng Q, Agrawal S, Carr D, Rokosz L, Liu R, Curry S, McMonagle P, Ingravallo P, Lahser F, Asante-Appiah E, Fells J, Kozlowski JA. Discovery of potent macrocyclic HCV NS5A inhibitors. Bioorg Med Chem Lett. 2016 Aug 1;26(15):3793-9. doi: 10.1016/j.bmcl.2016.05.042. Epub 2016 May 17. PubMed PMID: 27282743. 2: Coburn CA, Meinke PT, Chang W, Fandozzi CM, Graham DJ, Hu B, Huang Q, Kargman S, Kozlowski J, Liu R, McCauley JA, Nomeir AA, Soll RM, Vacca JP, Wang D, Wu H, Zhong B, Olsen DB, Ludmerer SW. Discovery of MK-8742: an HCV NS5A inhibitor with broad genotype activity. ChemMedChem. 2013 Dec;8(12):1930-40. doi: 10.1002/cmdc.201300343. Epub 2013 Oct 14. PubMed PMID: 24127258.