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ChemicalBook--->CAS DataBase List--->731006-86-3

731006-86-3

731006-86-3 Structure

731006-86-3 Structure
IdentificationBack Directory
[Name]

Benzoic acid, 4-[3-[2-[[4-(acetylamino)phenyl]thio]acetyl]-2,5-dimethyl-1H-pyrrol-1-yl]-, methyl ester
[CAS]

731006-86-3
[Synonyms]

ML 397
VU0155094
VU0155094(ML-397)
VU0155094 (Synonyms: ML397)
Methyl 4-[3-[2-[[4-(acetylamino)phenyl]thio]acetyl]-2,5-dimethyl-1H-pyrrol-1-yl]benzoate
Benzoic acid, 4-[3-[2-[[4-(acetylamino)phenyl]thio]acetyl]-2,5-dimethyl-1H-pyrrol-1-yl]-, methyl ester
[Molecular Formula]

C24H24N2O4S
[MDL Number]

MFCD04625924
[MOL File]

731006-86-3.mol
[Molecular Weight]

436.52
Chemical PropertiesBack Directory
[Boiling point ]

667.0±55.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

14.56±0.70(Predicted)
[color ]

White to light yellow
Hazard InformationBack Directory
[Description]

ML397, also known as VU0155094, is a positive allosteric modulator. ML397 showed differential activity at the various group III mGlus. Additionally, both compounds show probe dependence when assessed in the presence of distinct orthosteric agonists.
Spectrum DetailBack Directory
[Spectrum Detail]

Benzoic acid, 4-[3-[2-[[4-(acetylamino)phenyl]thio]acetyl]-2,5-dimethyl-1H-pyrrol-1-yl]-, methyl ester(731006-86-3)1HNMR
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