ChemicalBook--->CAS DataBase List--->132819-92-2

132819-92-2

132819-92-2 Structure

132819-92-2 Structure
IdentificationBack Directory
[Name]

1H-Indole-2-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, ethyl ester
[CAS]

132819-92-2
[Synonyms]

MDK19922
NOD-IN-1
NOD inhibitor 1
NOD-IN-1; COMPOUND 4; MDK19922; MDK 19922; MDK-19922.
1-(toluene-4-sulfonyl)-1H-indole-2-carboxylic acid ethyl ester
1H-Indole-2-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, ethyl ester
[Molecular Formula]

C18H17NO4S
[MDL Number]

MFCD30496705
[MOL File]

132819-92-2.mol
[Molecular Weight]

343.4
Chemical PropertiesBack Directory
[Melting point ]

98-99 °C
[Boiling point ]

523.3±52.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:2): 0.33 mg/ml
[form ]

A crystalline solid
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

NOD-IN-1 is a potent mixed inhibitor of nucleotide-binding oligomerization domain (NOD)-like receptors, NOD1 and NOD2, with IC50 of 5.74 μM and 6.45 μM, respectively.
[IC 50]

NOD1; NOD2
[References]

[1] Kecek Plesec K, et al. Identification of indole scaffold-based dual inhibitors of NOD1 and NOD2. Bioorg Med Chem. 2016 Nov 1;24(21):5221-5234. DOI:10.1016/j.bmc.2016.08.044
Spectrum DetailBack Directory
[Spectrum Detail]

1H-Indole-2-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, ethyl ester(132819-92-2)1HNMR
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