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:
Molecular Weight:
286.31
NACRES:
NA.77
UNSPSC Code:
12352200
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
Product Name
ITE, ≥98% (HPLC)
Quality Segment
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
2-8°C
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
InChI key
KDDXOGDIPZSCTM-UHFFFAOYSA-N
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).
signalword
Warning
hcodes
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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