ChemicalBook--->CAS DataBase List--->448906-42-1

448906-42-1

448906-42-1 Structure

448906-42-1 Structure
IdentificationBack Directory
[Name]

ITE
[CAS]

448906-42-1
[Synonyms]

ITE
ARYL HYDROCARBON RECEPTOR LIGAND
Methyl 2-(1H-indole-3-carbonyl)thiazole-4-carboxylate
2-(1'H-INDOLE-3'-CARBONYL)-THIAZOLE-4-CARBOXYLIC ACID
methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
2-(1H-INDOL-3-YLCARBONYL)-4-THIAZOLECARBOXYLIC ACID METHYL ESTER
2-(1'H-indole-37-carbonyl)-thiasole-4-carboxylic acid methyl ester
4-Thiazolecarboxylic acid, 2-(1H-indol-3-ylcarbonyl)-, methyl ester
[Molecular Formula]

C14H10N2O3S
[MDL Number]

MFCD06411597
[MOL File]

448906-42-1.mol
[Molecular Weight]

286.31
Chemical PropertiesBack Directory
[Melting point ]

234 - 236°C
[Boiling point ]

520.4±48.0 °C(Predicted)
[density ]

1.427±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: 30 mg/mL, soluble
[form ]

solid
[pka]

14.38±0.30(Predicted)
[color ]

Off-White to Light Yellow
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

ITE is an endogenous AHR ligand that parenterally or orally induces FoxP3+ Treg that suppress exprimental autoimmune encephalomyelitis. ITE promotes the induction of active immunology tolerance and identifies nontoxic endogenous AHR ligands.
[Definition]

ChEBI: 2-[1H-indol-3-yl(oxo)methyl]-4-thiazolecarboxylic acid methyl ester is an indolyl carboxylic acid.
[Biological Activity]

Endogenous agonist for the transcription factor aryl hydrocarbon receptor (AHR); K i = 3 nM for binding to murine AHR. Transactivates DRE-containing reporter gene constructs in Hepa1c1c7 cells ~ 5-fold more potently than β -naphthoflavone. Active in vivo .
[storage]

Store at RT
Spectrum DetailBack Directory
[Spectrum Detail]

ITE(448906-42-1)1HNMR
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