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Merck
CN

SML3139

ITE

≥98% (HPLC), AhR agonist, powder

Synonym(s):

2-(1′H-Indole-3′-carbonyl)thiazole-4-carboxylic acid methyl ester, 2-(1H-Indole­3-carbonyl)thiazole­-4-­carboxylic acid methyl ester, Methyl 2-(1H-indole-3-carbonyl)thiazole-4-carboxylate, 2-(1’H-Indole-3′-carbonyl)-thiazole-4-carboxylic acid

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About This Item

Empirical Formula (Hill Notation):
C14H10N2O3S
CAS Number:
448906-42-1
Molecular Weight:
286.31
NACRES:
NA.77
UNSPSC Code:
12352200
MDL number:
MFCD06411597

Key Documents

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Product Name

ITE, ≥98% (HPLC)

InChI key

KDDXOGDIPZSCTM-UHFFFAOYSA-N

SMILES string

COC(=O)c1csc(n1)C(=O)c2c[nH]c3ccccc23

InChI

1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Quality Level

100

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Related Categories

Biochem/physiol Actions

Endogenous ligand identified for aryl hydrocarbon receptor (AHR); ligand inducible transcription factor.
ITE is an endogenous aryl hydrocarbon (Ah) receptor (AhR) agonist with broad-spectrum species reactivity and 5-fold higher potency than beta-naphthoflavone (by cell-based reporter assay). ITE upregulates CYP1A1/downregulates AhR in Hepa cells (0.1-5 μM), and induces fetus AhR activation in pregnant mice in vivo (1.4mg ITE/mL DMSO/kg bw i.v. on gestation day/GD 14, fetal AhR activation assessed on GD15).

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000320845
0000320845
0000338088
0000338088
0000136040

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