ChemicalBook--->CAS DataBase List--->508186-14-9

508186-14-9

508186-14-9 Structure

508186-14-9 Structure
IdentificationBack Directory
[Name]

1-(2,3-Di(thiophen-2-yl)quinoxalin-6-yl)-3-(2-methoxyethyl)urea
[CAS]

508186-14-9
[Synonyms]

ACSS
MDK-6149
INVIVO-6149
Ac-COA Synthase Inhibitor
Ac-CoA Synthase Inhibitor1
ACSS2 INHIBITOR;AC-COA SYNTHASE INHIBITOR
1-(2,3-Di(thiophen-2-yl)quinoxalin-6-yl)-3-(2...
Urea, N-(2,3-di-2-thienyl-6-quinoxalinyl)-N'-(2-methoxyethyl)-
1-(2,3-Di(thiophen-2-yl)quinoxalin-6-yl)-3-(2-methoxyethyl)urea
[Molecular Formula]

C20H18N4O2S2
[MDL Number]

MFCD03232237
[MOL File]

508186-14-9.mol
[Molecular Weight]

410.51
Chemical PropertiesBack Directory
[Boiling point ]

539.3±50.0 °C(Predicted)
[density ]

1.364±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: soluble
[form ]

A solid
[pka]

12.34±0.43(Predicted)
[color ]

Light yellow to yellow
[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)
[InChIKey]

CTPVNWVUAGMHEJ-UHFFFAOYSA-N
[SMILES]

[s]1c(ccc1)c2nc3c(nc2c4[s]ccc4)ccc(c3)NC(=O)NCCOC
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Ac-CoA Synthase Inhibitor can be prepared for the treatment of Compositions for neurological and cognitive diseases and disorders, particularly useful in the treatment of anxiety disorders and disorders such as phobias, panic disorders, psychosocial stress (such as seen in disasters, disasters or victims of violence), obsessive-compulsive disorders, generalized Anxiety disorders and post-traumatic stress disorder (PTSD).Also it may be used to modulate long-term memory storage or consolidation, to treat addiction and/or addiction-related diseases or conditions, to prevent or treat acute alcohol-induced memory Deficits and chronic alcohol-induced memory deficits.

[Biological Activity]

Ac-CoA Synthase Inhibitor is a potent and specific inhibitor of acetyl-CoA synthase 2 (ACSS2). It also inhibits respiratory syncytial virus (RSV).
[in vitro]

Ac-CoA Synthase Inhibitor inhibits the incorporation of [14C]acetate into lipids in HepG2 cells with IC50 of 6.8 μM. It inhibits histone acetylation by [14C]acetate in HepG2 cells with IC50 of 5.5 μM.

[target]

TargetValue
ACSS2
(Cell-free assay)
~0.6 μM
Spectrum DetailBack Directory
[Spectrum Detail]

1-(2,3-Di(thiophen-2-yl)quinoxalin-6-yl)-3-(2-methoxyethyl)urea(508186-14-9)1HNMR
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