N-(2-(1H-indol-3-yl)ethyl)-9-isopropyl-2-(5-Methylpyridin-3-yl)-9H-purin-6-aMine

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N-(2-(1H-indol-3-yl)ethyl)-9-isopropyl-2-(5-Methylpyridin-3-yl)-9H-purin-6-aMine Basic information
Product Name:N-(2-(1H-indol-3-yl)ethyl)-9-isopropyl-2-(5-Methylpyridin-3-yl)-9H-purin-6-aMine
Synonyms:N-(2-(1H-indol-3-yl)ethyl)-9-isopropyl-2-(5-Methylpyridin-3-yl)-9H-purin-6-aMine;9H-Purin-6-amine, N-[2-(1H-indol-3-yl)ethyl]-9-(1-methylethyl)-2-(5-methyl-3-pyridinyl)-;GNF351,Inhibitor,AhR,GNF-351,Aryl Hydrocarbon Receptor,GNF 351,inhibit;NF351;GNF351, 10 mM in DMSO;AhR Antagonist III, GNF351
CAS:1227634-69-6
MF:C24H25N7
MW:411.5
EINECS:
Product Categories:
Mol File:1227634-69-6.mol
N-(2-(1H-indol-3-yl)ethyl)-9-isopropyl-2-(5-Methylpyridin-3-yl)-9H-purin-6-aMine Structure
N-(2-(1H-indol-3-yl)ethyl)-9-isopropyl-2-(5-Methylpyridin-3-yl)-9H-purin-6-aMine Chemical Properties
Boiling point 606.8±65.0 °C(Predicted)
density 1.31±0.1 g/cm3(Predicted)
storage temp. Store at -20°C
solubility DMSO : ≥ 125 mg/mL (303.77 mM);Water : < 0.1 mg/mL (insoluble)
form Solid
pka17.15±0.30(Predicted)
color Off-white to light yellow
InChI1S/C24H25N7/c1-15(2)31-14-28-21-23(26-9-8-17-13-27-20-7-5-4-6-19(17)20)29-22(30-24(21)31)18-10-16(3)11-25-12-18/h4-7,10-15,27H,8-9H2,1-3H3,(H,26,29,30)
InChIKeyABXIUYMKZDZUDC-UHFFFAOYSA-N
SMILES[n]1(c2nc(nc(c2nc1)NCCc4c5c([nH]c4)cccc5)c3cncc(c3)C)C(C)C
Safety Information
WGK Germany WGK 3
Storage Class11 - Combustible Solids
MSDS Information
N-(2-(1H-indol-3-yl)ethyl)-9-isopropyl-2-(5-Methylpyridin-3-yl)-9H-purin-6-aMine Usage And Synthesis
UsesA cell-permeable purine compound that acts as a high-affinity aryl hydrocarbon receptor (AhR) antagonist (IC50 = 62 nM in mouse liver cytosol expressing humanized AhR) and lacks any agonist activity even at higher doses. Reportedly binds with high affinity to the ligand-binding pocket of AhR and blocks the binding of an array of exogenous and endogenous ligands. Shown to non-covalently interact with Ser317, His291, and Ser365 in human and with Ser311, His285, and Ser359 in mouse AhR. Represses AhR transcriptional activity via the dioxin response element (DRE)-dependent and independent mediated responses in human and mouse cells (IC50 = 8.5 nM in HepG2 40/6 cells).
N-(2-(1H-indol-3-yl)ethyl)-9-isopropyl-2-(5-Methylpyridin-3-yl)-9H-purin-6-aMine Preparation Products And Raw materials
Tag:N-(2-(1H-indol-3-yl)ethyl)-9-isopropyl-2-(5-Methylpyridin-3-yl)-9H-purin-6-aMine(1227634-69-6) Related Product Information
N-(2-(1H-indol-3-yl)ethyl)-9-isopropyl-2-(5-Methylpyridin-3-yl)-9H-purin-6-aMine Prochloraz α-Naphthoflavone 3-(3-Indolyl)-2-oxopropanoic acid BAY 2416964 3-Methylindole