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5.33756

Ac-CoA Synthase Inhibitor

Name: Ac-CoA Synthase Inhibitor
Brand: MM

Synonym(s):

Ac-CoA Synthase Inhibitor, 1-(2,3-di(Thiophen-2-yl)quinoxalin-6-yl)-3-(2-methoxyethyl)urea, N-(2,3-di-2-Thienyl-6-quinoxalinyl)-Nʹ-(2-methoxyethyl)urea, Acyl-CoA Synthetase 2 short-chain Inhibitor; short-chain Acetyl-CoA Synthetase 2 Inhibitor, ACSS2 Inhibitor

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About This Item

Empirical Formula (Hill Notation):

C₂₀H₁₈N₄O₂S₂

CAS Number:

508186-14-9

Molecular Weight:

410.51

MDL number:

MFCD03232237

UNSPSC Code:

51111800

NACRES:

NA.77

Assay:

≥98% (HPLC)

Form:

solid

Storage condition:

OK to freeze, protect from light

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Properties

assay

≥98% (HPLC)

Quality Segment

100

form

solid

manufacturer/tradename

Calbiochem^®

storage condition

OK to freeze, protect from light

color

yellow

solubility

DMSO: 50 mg/mL

storage temp.

2-8°C

SMILES string

[s]1c(ccc1)c2nc3c(nc2c4[s]ccc4)ccc(c3)NC(=O)NCCOC

InChI

1S/C20H18N4O2S2/c1-26-9-8-21-20(25)22-13-6-7-14-15(12-13)24-19(17-5-3-11-28-17)18(23-14)16-4-2-10-27-16/h2-7,10-12H,8-9H2,1H3,(H2,21,22,25)

InChI key

CTPVNWVUAGMHEJ-UHFFFAOYSA-N

Description

General description

A cell-permeable quinoxaline based compound that acts as a potent, reversible inhibitor of acetyl CoA synthetase (ACSS2; IC₅₀ ~ 600 nM in a luciferase based assay). Exhibits selectivity over ACSF2 and ACSL5 acyl-CoA synthetases. Efficiently blocks the uptake of ¹⁴C tracer carbons from acetate into lipids (IC₅₀ = 6.8 µM) and for histone acetylation (IC₅₀ = 5.5 µM) in HepG2 cells.

Biochem/physiol Actions

Primary Target
ACSS2

Reversible: yes

Preparation Note

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 3 months at -20°C.

Other Notes

Comerford, S.A., et al. 2014. Cell.159, 1591.

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Disclaimer

Toxicity: Standard Handling (A)

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c