ChemicalBook--->CAS DataBase List--->890819-86-0

890819-86-0

890819-86-0 Structure

890819-86-0 Structure
IdentificationBack Directory
[Name]

ML349
[CAS]

890819-86-0
[Synonyms]

ML349
ML349 >=98% (HPLC)
(5,5-Dioxido-4H-thieno[3,2-c][1]benzothiopyran-2-yl)[4-(4-methoxyphenyl)-1-piperazinyl]methanone
Methanone, (5,5-dioxido-4H-thieno[3,2-c][1]benzothiopyran-2-yl)[4-(4-methoxyphenyl)-1-piperazinyl]-
[Molecular Formula]

C23H22N2O4S2
[MDL Number]

MFCD14808090
[MOL File]

890819-86-0.mol
[Molecular Weight]

454.56
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 20 mg/mL (44.00 mM; Need ultrasonic)
[form ]

Powder
[color ]

White to yellow
[InChI]

1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3
[InChIKey]

YVIJPELUPZUEJX-UHFFFAOYSA-N
[SMILES]

[S]1(=O)(=O)Cc2c([s]c(c2)C(=O)N4CCN(CC4)c5ccc(cc5)OC)c3c1cccc3
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

ML 349 is an inhibitor of lysophospholipase 2 (LYPLA2), a serine hydrolase, and displays an isoform selective inhibition of acyl protein thioesterases.
[Biological Activity]

ML349 is a substrate-competitivereversible and APT2-selective acyl-protein thioesterase (APT) inhibitor (IC50/Ki = 510 nM/230 nM against APT2; IC50 & Ki >10 μM against APT1). ML349 effectively inhibits cellular APT2 activity in cultures (by >95% in HEK293T & mouse T cells; 5 μM for 4 h) and in mice in vivo (by >90% in lung/heart/kidney and by ~50% in brain tissue 4 h post 50 mg/kg i.p. dosing) without affecting more than 15 cellular serine hydrolases and APT1. ML349 treatment (5 μM) is shown to restore palmitoylation and membrane localization of the multidomain scaffolding protein Scribble (Scrib) in MDCK cells overexpressing the epithelial-to-mesenchymal transcription factor (EMT-TF) Snail.
[storage]

Store at +4°C
Spectrum DetailBack Directory
[Spectrum Detail]

ML349(890819-86-0)1HNMR
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