GSK812397

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GSK812397 is a CXCR4 antagonist with potential for the treatment of HIV infection. To evaluate the clinical potential of GSK812397, kilogram-scale agent candidates are needed. Here, an improved, scalable synthetic route for the CXCR4 antagonist GSK812397 is described. This new route has been scaled up in a 50-liter stationary facility to obtain 1.2 kg of agent substance in 20% overall yield and >99% chemical and enantiomeric purity in five steps. CXC chemokine receptor 4 (CXCR4) is a 7-transmembrane protein that functions in part as a host co-receptor for multiple strains of HIV-1. It is thought that targeting CXCR4 will help inhibit the replication of several late cytopathic viruses; therefore, CXCR4 antagonists are one of the most promising new classes of experimental anti-HIV agents. GSK812397 is a potent CXCR4 antagonist and is therefore a candidate for investigation for the treatment of HIV infection.

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GSK812397 Chemical Structure

CAS No. : 878197-98-9

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•Related Proteins:

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CXCR CXCR1 CXCR2 CXCR3 CXCR4 CXCR7 CXCR6

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HIV HIV-1 HIV-2

Biological Activity
Purity & Documentation
References
Customer Review

Description

Cellular Effect

Cell Line	Type	Value	Description	References
HEK293	IC₅₀	> 1000 nM Compound: GSK-812397	Cytotoxicity against HEK293 cells after 24 hrs by MTS assay Cytotoxicity against HEK293 cells after 24 hrs by MTS assay	[PMID: 19949058]
HEK293	IC₅₀	0.56 nM Compound: GSK-812397	Inhibition of HIV1 HXB2 gp120-mediated viral infusion into HEK293 cells after 24 hrs by luciferase reporter gene assay Inhibition of HIV1 HXB2 gp120-mediated viral infusion into HEK293 cells after 24 hrs by luciferase reporter gene assay	[PMID: 19949058]
HEK293	IC₅₀	0.87 nM Compound: GSK-812397	Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge by FLIPR assay Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge by FLIPR assay	[PMID: 19949058]
HEK293	IC₅₀	1.07 nM Compound: GSK-812397	Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 15 mins by FLIPR assay Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 15 mins by FLIPR assay	[PMID: 19949058]
HEK293	IC₅₀	1.71 nM Compound: GSK-812397	Inhibition of HIV1 HXB2 gp120-mediated viral infusion into HEK293 cells after 24 hrs by luciferase reporter gene assay in presence of 45 mg/ml human serum albumin Inhibition of HIV1 HXB2 gp120-mediated viral infusion into HEK293 cells after 24 hrs by luciferase reporter gene assay in presence of 45 mg/ml human serum albumin	[PMID: 19949058]
HEK293	IC₅₀	1.97 nM Compound: GSK-812397	Inhibition of HIV1 HXB2 gp120-mediated viral infusion into HEK293 cells after 24 hrs by luciferase reporter gene assay in presence of alpha-acid glycoprotein and human serum albumin Inhibition of HIV1 HXB2 gp120-mediated viral infusion into HEK293 cells after 24 hrs by luciferase reporter gene assay in presence of alpha-acid glycoprotein and human serum albumin	[PMID: 19949058]
HEK293	IC₅₀	1.99 nM Compound: GSK-812397	Inhibition of HIV1 HXB2 gp120-mediated viral infusion into HEK293 cells after 24 hrs by luciferase reporter gene assay in presence of 1 mg/ml alpha-acid glycoprotein Inhibition of HIV1 HXB2 gp120-mediated viral infusion into HEK293 cells after 24 hrs by luciferase reporter gene assay in presence of 1 mg/ml alpha-acid glycoprotein	[PMID: 19949058]
HEK293	IC₅₀	2.41 nM Compound: GSK-812397	Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced increase in intracellular calcium level treated 15 mins before agonist challenge measured after 1 hr by FLIPR assay Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced increase in intracellular calcium level treated 15 mins before agonist challenge measured after 1 hr by FLIPR assay	[PMID: 19949058]
HEK293	IC₅₀	26.64 nM Compound: GSK-812397	Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge measured after 45 mins post compound washout by FLIPR assay Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge measured after 45 mins post compound washout by FLIPR assay	[PMID: 19949058]
HEK293	IC₅₀	3.36 nM Compound: GSK-812397	Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 5 mins by FLIPR assay Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 5 mins by FLIPR assay	[PMID: 19949058]
HOS	IC₅₀	> 1000 nM Compound: GSK-812397	Cytotoxicity against human HOS cells infected with HIV1 3B after 72 hrs by celltiter glow assay Cytotoxicity against human HOS cells infected with HIV1 3B after 72 hrs by celltiter glow assay	[PMID: 19949058]
HOS	IC₅₀	> 1000 nM Compound: GSK-812397	Antiviral activity against HIV1 Bal infected in human HOS cells after 72 hrs by luminescence assay Antiviral activity against HIV1 Bal infected in human HOS cells after 72 hrs by luminescence assay	[PMID: 19949058]
HOS	IC₅₀	1.23 nM Compound: GSK-812397	Antiviral activity against HIV1 3B infected in human HOS cells after 72 hrs by luminescence assay Antiviral activity against HIV1 3B infected in human HOS cells after 72 hrs by luminescence assay	[PMID: 19949058]
HOS	IC₅₀	2.01 nM Compound: GSK-812397	Antiviral activity against HIV1 3B infected in human HOS cells after 72 hrs by luminescence assay in presence of 45 mg/ml human serum albumin Antiviral activity against HIV1 3B infected in human HOS cells after 72 hrs by luminescence assay in presence of 45 mg/ml human serum albumin	[PMID: 19949058]
HOS	IC₅₀	2.87 nM Compound: GSK-812397	Antiviral activity against HIV1 3B infected in human HOS cells after 72 hrs by luminescence assay in presence of 1 mg/ml alpha-acid glycoprotein Antiviral activity against HIV1 3B infected in human HOS cells after 72 hrs by luminescence assay in presence of 1 mg/ml alpha-acid glycoprotein	[PMID: 19949058]
HOS	IC₅₀	3.14 nM Compound: GSK-812397	Antiviral activity against HIV1 3B infected in human HOS cells after 72 hrs by luminescence assay in presence of alpha-acid glycoprotein and human serum albumin Antiviral activity against HIV1 3B infected in human HOS cells after 72 hrs by luminescence assay in presence of alpha-acid glycoprotein and human serum albumin	[PMID: 19949058]
PBMC	IC₅₀	> 1000 nM Compound: GSK-812397	Cytotoxicity against human PBMC infected with HIV1 3B after 7 days by celltiter glow assay Cytotoxicity against human PBMC infected with HIV1 3B after 7 days by celltiter glow assay	[PMID: 19949058]
U2OS	IC₅₀	2.1 nM Compound: GSK-812397	Antagonist activity at mouse CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay Antagonist activity at mouse CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay	[PMID: 19949058]
U2OS	IC₅₀	4.3 nM Compound: GSK-812397	Antagonist activity at rat CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay Antagonist activity at rat CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay	[PMID: 19949058]
U2OS	IC₅₀	6.6 nM Compound: GSK-812397	Antagonist activity at human CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay Antagonist activity at human CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay	[PMID: 19949058]
U2OS	IC₅₀	7.8 nM Compound: GSK-812397	Antagonist activity at monkey CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay Antagonist activity at monkey CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay	[PMID: 19949058]
U-937	IC₅₀	0.34 nM Compound: GSK-812397	Inhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assay Inhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assay	[PMID: 19949058]

Molecular Weight

420.55

Formula

C₂₄H₃₂N₆O

CAS No.

878197-98-9

SMILES

OCC1=C(CN([C@@H]2C3=NC=CC=C3CCC2)C)N=C4C=CC=C(N5CCN(CC5)C)N14

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Handling Instructions (2659 KB)

References

[1]. Kilogram-Scale Synthesis of the CXCR4 Antagonist GSK812397

GSK812397 Related Classifications

Infection

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The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass		Concentration		Volume		Molecular Weight *
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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)	×	Volume _(start)	=	Concentration _(final)	×	Volume _(final)
	×		=		×
C1		V1		C2		V2

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

GSK812397878197-98-9GSK 812397GSK-812397CXCRHIVCXC chemokine receptorsC-X-C motif chemokine receptorsHuman immunodeficiency virusInhibitorinhibitorinhibit

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