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Merck
CN

SML3147

GSK046

≥98% (HPLC)

Synonym(s):

iBET-BD2, 4-acetamido-3-fluoro-N-(trans-4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide; 4-Acetamido-3-fluoro-N-((1R,4S)-4-hydroxycyclohexyl)-5-((S)-1-phenylethoxy)benzamide

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About This Item

Empirical Formula (Hill Notation):
C23H27FN2O4
CAS Number:
2474876-09-8
Molecular Weight:
414.47
UNSPSC Code:
12352107
NACRES:
NA.77
MDL number:
MFCD32858297

Key Documents

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InChI

1S/C23H27FN2O4/c1-14(16-6-4-3-5-7-16)30-21-13-17(12-20(24)22(21)25-15(2)27)23(29)26-18-8-10-19(28)11-9-18/h3-7,12-14,18-19,28H,8-11H2,1-2H3,(H,25,27)(H,26,29)/t14-,18-,19-/m0/s1

InChI key

FRBRZGLUFOZRGD-JVPBZIDWSA-N

SMILES string

O=C(N[C@H]1CC[C@H](O)CC1)C2=CC(F)=C(NC(C)=O)C(O[C@H](C3=CC=CC=C3)C)=C2

assay

≥98% (HPLC)

form

powder

color

white to beige

storage temp.

2-8°C

Quality Level

100

Related Categories

General description

GSK046 is an orally bioavailable small molecule. Its structure contains a poly-substituted phenyl ring in the center. GSK046 reduces immuno-inflammation by inhibiting the production of monocyte chemoattractant protein 1 (MCP-1), a chemokine involved in the regulation of macrophage activation.

Biochem/physiol Actions

potent and highly selective inhibitor of bromodomain BD2 of BRD2, BDR3, BRD4, BRDT

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000139725

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Progress in the development of domain selective inhibitors of the bromo and extra terminal domain family (BET) proteins
Fu Y, et al.
European Journal of Medicinal Chemistry (2021)

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