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Merck
CN

SML2112

GSK8815

≥98% (HPLC)

Synonym(s):

8-((3S,4S,5R)-3-((4,4-Difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-ylamino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one, 8-[[(3S,4S,5R)-3-[(4,4-Difluorocyclohexyl)methoxy]-5-methoxy-4-piperidinyl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1,7-naphthyridin-2(1H)-one

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About This Item

Empirical Formula (Hill Notation):
C28H35F2N5O3
CAS Number:
1997369-79-5
Molecular Weight:
527.61
UNSPSC Code:
12352200
NACRES:
NA.77

Key Documents

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SMILES string

O=C(N1)C(C)=CC2=C1C(N[C@H]3[C@H](OCC4CCC(F)(F)CC4)CNC[C@H]3OC)=NC=C2C5=CN=CC(C)=C5

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

−20°C

Related Categories

Biochem/physiol Actions

GSK8815 is an aqueous soluble (326 μM) naphthyridone that serves as a negative control for the more active diastereomer GSK8814 in ATAD2/ATAD2B inhibition studies. Comparing to GSK8814, GSK8815 is ineffective in cell-based assays and exhibits greatly reduced affinity toward ATAD2 & ATAD2B bromodomain in cell-free binding assays (pKd for ATAD2 = 5.5/GSK8815 vs. 8.1/GSK8814 by ITC; pIC50 against ATAD2 BD/ATAD2B BD = 5.5/5.5 with GSK8815 vs. 7.3/7.7 with GSK8814 in competitive ligand binding assays by TR-FRET).
Less potent control compound for GSK8814

Storage Class

11 - Combustible Solids

wgk

WGK 3

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Certificates of Analysis (COA)

Lot/Batch Number
0000101217
0000101216
0000095312

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Paul Bamborough et al.
Angewandte Chemie (International ed. in English), 55(38), 11382-11386 (2016-08-18)
ATAD2 is a cancer-associated protein whose bromodomain has been described as among the least druggable of that target class. Starting from a potent lead, permeability and selectivity were improved through a dual approach: 1) using CF2 as a sulfone bio-isostere

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