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Chemical structure of Ro 46-2005

GC32528

Ro 46-2005

Also known as 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide

Ro 46-2005 is a novel synthetic non-peptide endothelin receptor antagonist, inhibits the specific binding of 125I-ET-1 to human vascular smooth muscle cells (ETA receptor) with IC50 of 220 nM

ChemicalCAS150725-87-4MW473.54FormulaC23H27N3O6S
CAS number
150725-87-4
Molecular weight
473.54
Formula
C23H27N3O6S
Solubility
DMSO ： ≥ 28 mg/mL (59·13 mM)
InChIKey
ZNXOKLWCOWOECF-UHFFFAOYSA-N
Catalogue number
GC32528
Brand
GLPBIO
Computed properties PubChem CID 122044 · XLogP 4 · TPSA 128 Ų · H-bond donors 2
XLogP
4
TPSA
128 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
33

SMILES CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCO)OC3=CC=CC(=C3)OC

Computed descriptors from PubChem (CID 122044), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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