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ICI 89406 - ≥98%, high purity , CAS No.53671-71-9, Antagonist of β 1-adrenoceptor
a β-adrenergic antagonist
Basic Description Synonyms ICI 89406|53671-71-9|ICI-89406|ici89406|1-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-phenylurea|ICI 89,406|Urea, N-(2-((3-(2-cyanophenoxy)-2-hydroxypropyl)amino)ethyl)-N'-phenyl-|C027IY98WE|ICI89406;ICI-89406|N-[2-[3-(2-CYANOPHENOXY)-2-HYDROXY Specifications & Purity Moligand™, ≥98% Storage Temp Room temperature Shipped In Normal Grade Moligand™ Action Type ANTAGONIST Mechanism of action Antagonist of β 1-adrenoceptor Product Description ICI 89406 is known to be a β-adrenergic antagonist.
Names and Identifiers IUPAC Name 1-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-phenylurea INCHI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25) InChi Key HTLWRKRZKFAAAH-UHFFFAOYSA-N Canonical SMILES C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O Isomeric SMILES C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O Alternate CAS 53671-71-9 PubChem CID 123686 MeSH Entry Terms ICI 89 406;ICI 89,406;ICI 89406;ICI-89406 Molecular Weight 354.41
Chemical and Physical Properties Solubility Soluble in ethanol, and DMSO (100 mM). Refractive Index n20D1.61 (Predicted) Boil Point(°C) ~575.0° C at 760 mmHg (Predicted) Melt Point(°C) 235.84° C (Predicted)
References 1. Mistry SN, Baker JG, Fischer PM, Hill SJ, Gardiner SM, Kellam B. (2013) Synthesis and in vitro and in vivo characterization of highly β1-selective β-adrenoceptor partial agonists.. J Med Chem, 56 (10): (3852-65). [PMID:23614528 ]
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