MedKoo Cat#: 525686 | Name: MK-4965

Description:

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

MK-4965 is a novel nonnucleoside reverse transcriptase inhibitor with anti-viral activity. MK-4965 possesses the desired properties for further development as a new NNRTI for the treatment of HIV-1 infection.

Chemical Structure

MK-4965
MK-4965
CAS#920035-77-4

Theoretical Analysis

MedKoo Cat#: 525686

Name: MK-4965

CAS#: 920035-77-4

Chemical Formula: C20H13Cl2N5O2

Exact Mass: 425.0446

Molecular Weight: 426.26

Elemental Analysis: C, 56.36; H, 3.07; Cl, 16.63; N, 16.43; O, 7.51

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
MK4965; MK 4965; MK-4965
IUPAC/Chemical Name
3-(5-((6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy)-2-chlorophenoxy)-5-chlorobenzonitrile
InChi Key
KXDIHAQCVNNLIB-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H13Cl2N5O2/c21-12-5-11(9-23)6-14(7-12)29-18-8-13(1-3-16(18)22)28-10-17-15-2-4-19(24)25-20(15)27-26-17/h1-8H,10H2,(H3,24,25,26,27)
SMILES Code
N#CC1=CC(Cl)=CC(OC2=CC(OCC3=NNC4=NC(N)=CC=C43)=CC=C2Cl)=C1
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, not in water
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 426.26 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: Lai MT, Munshi V, Touch S, Tynebor RM, Tucker TJ, McKenna PM, Williams TM, DiStefano DJ, Hazuda DJ, Miller MD. Antiviral activity of MK-4965, a novel nonnucleoside reverse transcriptase inhibitor. Antimicrob Agents Chemother. 2009 Jun;53(6):2424-31. doi: 10.1128/AAC.01559-08. Epub 2009 Mar 16. PubMed PMID: 19289522; PubMed Central PMCID: PMC2687194. 2: Tucker TJ, Sisko JT, Tynebor RM, Williams TM, Felock PJ, Flynn JA, Lai MT, Liang Y, McGaughey G, Liu M, Miller M, Moyer G, Munshi V, Perlow-Poehnelt R, Prasad S, Reid JC, Sanchez R, Torrent M, Vacca JP, Wan BL, Yan Y. Discovery of 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chloro benzonitrile (MK-4965): a potent, orally bioavailable HIV-1 non-nucleoside reverse transcriptase inhibitor with improved potency against key mutant viruses. J Med Chem. 2008 Oct 23;51(20):6503-11. doi: 10.1021/jm800856c. Epub 2008 Oct 1. PubMed PMID: 18826204.