GSK812397

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

MedKoo CAT#: 522449

CAS#: 878197-98-9

Description: GSK812397 is a potent entry inhibitor of X4-tropic strains of HIV-1, as demonstrated in multiple in vitro cellular assays. GSK812397 is a noncompetitive antagonist of the CXCR4 receptor, with GSK812397 producing a concentration-dependent decrease in both an SDF-1-mediated chemotaxis and intracellular calcium release (IC50s were 0.34+/-0.01 nM and 2.41+/-0.50 nM, respectively). GSK812397 is effective against a broad range of X4- and X4R5-utilizing clinical isolates. The potency and efficacy of GSK812397 are dependent on the individual isolate, with complete inhibition of infection observed with 24 of 30 isolates. GSK812397 does not show any detectable in vitro cytotoxicity and was highly selective for CXCR4. GSK812397 shows acceptable pharmacokinetic properties and bioavailability across species. GSK812397 has antiviral activity against a broad range of X4-utilizing strains of HIV-1 via a noncompetitive antagonism of the CXCR4 receptor.

Chemical Structure

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GSK812397
CAS# 878197-98-9
Handing Instruction

Theoretical Analysis

MedKoo Cat#: 522449
Name: GSK812397
CAS#: 878197-98-9
Chemical Formula: C24H32N6O
Exact Mass: 420.26376
Molecular Weight: 420.56
Elemental Analysis: C, 68.54; H, 7.67; N, 19.98; O, 3.80

Size Price Shipping out time Quantity
Inquire bulk and customized quantity
Pricing updated 2021-03-02. Prices are subject to change without notice.

GSK812397 is not in stock, but may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.

Synonym: GSK812397; GSK-812397; GSK 812397.

IUPAC/Chemical Name: (S)-(2-((methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl)methanol

InChi Key: QUDMHFVRKBVGBY-FQEVSTJZSA-N

InChi Code: InChI=1S/C24H32N6O/c1-27-12-14-29(15-13-27)23-10-4-9-22-26-19(21(17-31)30(22)23)16-28(2)20-8-3-6-18-7-5-11-25-24(18)20/h4-5,7,9-11,20,31H,3,6,8,12-17H2,1-2H3/t20-/m0/s1

SMILES Code: OCC1=C(CN([C@@H]2C3=C(C=CC=N3)CCC2)C)N=C4C=CC=C(N5CCN(C)CC5)N41

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

Handling Instructions:
View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 420.56 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.

Select a batch to recalculate based on the batch molecular weight:
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

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1: Planesas JM, Pérez-Nueno VI, Borrell JI, Teixidó J. Studying the binding
interactions of allosteric agonists and antagonists of the CXCR4 receptor. J Mol
Graph Model. 2015 Jul;60:1-14. doi: 10.1016/j.jmgm.2015.05.004. Epub 2015 May 30.
PubMed PMID: 26080355.

2: Jenkinson S, Thomson M, McCoy D, Edelstein M, Danehower S, Lawrence W, Wheelan
P, Spaltenstein A, Gudmundsson K. Blockade of X4-tropic HIV-1 cellular entry by
GSK812397, a potent noncompetitive CXCR4 receptor antagonist. Antimicrob Agents
Chemother. 2010 Feb;54(2):817-24. doi: 10.1128/AAC.01293-09. Epub 2009 Nov 30.
PubMed PMID: 19949058; PubMed Central PMCID: PMC2812144.

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GSK812397