GSK-2336805 | CAS#1256390-53-0 | HCV NS5A inhibitor

MedKoo Cat#: 526913 | Name: GSK2336805

Description:

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

GSK-2336805, also known as GSK-805; JNJ-56914845, is a HCV NS5A inhibitor potentially for the treatment of HCV infection. . GSK2336805 retained activity on chimeric replicons containing NS5A patient sequences from genotype 1 and patient and consensus sequences for genotypes 4 and 5 and part of genotype 6. Combination and cross-resistance studies demonstrated that GSK2336805 could be used as a component of a multidrug HCV regimen either with the current standard of care or in combination with compounds with different mechanisms of action that are still progressing through clinical development.

Chemical Structure

GSK2336805

CAS#1256390-53-0

Theoretical Analysis

MedKoo Cat#: 526913

Name: GSK2336805

CAS#: 1256390-53-0

Chemical Formula: C42H52N8O8

Exact Mass: 796.3908

Molecular Weight: 796.93

Elemental Analysis: C, 63.30; H, 6.58; N, 14.06; O, 16.06

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 #

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Synonym

GSK-2336805; GSK 2336805; GSK2336805; GSK2236805; GSK 2236805; GSK-2236805; JNJ-56914845; JNJ56914845; JNJ 56914845

IUPAC/Chemical Name

methyl ((S)-1-((S)-8-(4-(4'-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-4-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methyl-1-oxobutan-2-yl)carbamate

InChi Key

YMCAVGXTSCNFDE-BBACVFHCSA-N

InChi Code

InChI=1S/C42H52N8O8/c1-24(2)34(47-40(53)55-5)38(51)49-17-7-8-32(49)36-43-21-30(45-36)28-13-9-26(10-14-28)27-11-15-29(16-12-27)31-22-44-37(46-31)33-20-42(57-18-19-58-42)23-50(33)39(52)35(25(3)4)48-41(54)56-6/h9-16,21-22,24-25,32-35H,7-8,17-20,23H2,1-6H3,(H,43,45)(H,44,46)(H,47,53)(H,48,54)/t32-,33-,34-,35-/m0/s1

SMILES Code

O=C(OC)N[C@@H](C(C)C)C(N([C@H](C1=NC(C2=CC=C(C3=CC=C(C4=CNC([C@H]5N(C([C@H](C(C)C)NC(OC)=O)=O)CCC5)=N4)C=C3)C=C2)=CN1)C6)CC76OCCO7)=O

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 796.93 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.

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: Adkison KK, Gan J, Elko-Simms L, Gardner S, Dumont E, Jones LS, Saunders J, Marbury T, Smith W, Berg J, Galloway C, Stump PJ. Pharmacokinetics of hepatitis C virus NS5A inhibitor JNJ-56914845 (GSK2336805) in subjects with hepatic impairment. J Clin Pharmacol. 2015 Sep;55(9):1042-50. doi: 10.1002/jcph.512. Epub 2015 May 25. PubMed PMID: 25857714. 2: Adkison KK, Jones LS, Lou Y, Gan J, Wilfret DA. Effects of omeprazole and ritonavir on absorption and elimination of the hepatitis C virus NS5A inhibitor GSK2336805 in healthy adults. Clin Pharmacol Drug Dev. 2014 Sep;3(5):338-45. doi: 10.1002/cpdd.104. Epub 2014 Feb 18. PubMed PMID: 27129005. 3: Kazmierski WM, Maynard A, Duan M, Baskaran S, Botyanszki J, Crosby R, Dickerson S, Tallant M, Grimes R, Hamatake R, Leivers M, Roberts CD, Walker J. Novel spiroketal pyrrolidine GSK2336805 potently inhibits key hepatitis C virus genotype 1b mutants: from lead to clinical compound. J Med Chem. 2014 Mar 13;57(5):2058-73. doi: 10.1021/jm4013104. Epub 2014 Feb 26. PubMed PMID: 24568313. 4: Walker J, Crosby R, Wang A, Woldu E, Vamathevan J, Voitenleitner C, You S, Remlinger K, Duan M, Kazmierski W, Hamatake R. Preclinical characterization of GSK2336805, a novel inhibitor of hepatitis C virus replication that selects for resistance in NS5A. Antimicrob Agents Chemother. 2014;58(1):38-47. doi: 10.1128/AAC.01363-13. Epub 2013 Oct 14. PubMed PMID: 24126581; PubMed Central PMCID: PMC3910799. 5: Gardner S, Cutrell A, Elko-Simms C, Adkison K, Hamatake R, Walker J, Rodriguez-Torres M, Hong Z. A double-blind, randomized, placebo-controlled study to assess the safety, antiviral activity and pharmacokinetics of GSK2336805 when given as monotherapy and in combination with peginterferon alfa-2a and ribavirin in hepatitis C virus genotype 1-infected treatment-naive subjects. Liver Int. 2014 Jul;34(6):e89-95. doi: 10.1111/liv.12334. Epub 2013 Oct 16. PubMed PMID: 24107072. 6: Wilfret DA, Walker J, Adkison KK, Jones LA, Lou Y, Gan J, Castellino S, Moseley CL, Horton J, de Serres M, Culp A, Goljer I, Spreen W. Safety, tolerability, pharmacokinetics, and antiviral activity of GSK2336805, an inhibitor of hepatitis C virus (HCV) NS5A, in healthy subjects and subjects chronically infected with HCV genotype 1. Antimicrob Agents Chemother. 2013 Oct;57(10):5037-44. doi: 10.1128/AAC.00910-13. Epub 2013 Jul 29. PubMed PMID: 23896477; PubMed Central PMCID: PMC3811459. 7: Wilfret DA, Adkison KK, Jones LA, Lou Y, Gan J, Spreen W. Echocardiogram study to evaluate the effect of the novel hepatitis C virus NS5A inhibitor GSK2336805 on cardiac contractility in healthy subjects. Antimicrob Agents Chemother. 2013 Oct;57(10):5141-3. doi: 10.1128/AAC.00668-13. Epub 2013 Jul 15. PubMed PMID: 23856771; PubMed Central PMCID: PMC3811415.

View History

Description:

Chemical Structure

Theoretical Analysis

Price and Availability

Preparing Stock Solutions

View History

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