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General Information
Catalog: BLP-003278
CAS: 1046116-26-0
Molecular Formula: C22H19D3N2O4
Molecular Weight: 381.44
Chemical Structure
Description Labelled analogue of Ambrisentan. Ambrisentan, a highly selective antagonist of the endothelin-1 type A receptor with IC50 of 18 nM, is indicated for the treatment of pulmonary arterial hypertension (PAH).
Synonyms (αS)-α-[(4,6-Dimethyl-2-pyrimidinyl)oxy]-β-(methoxy-d3)-β-phenylbenzenepropanoic acid; (S)-2-((4,6-dimethylpyrimidin-2-yl)oxy)-3-(methoxy-d3)-3,3-diphenylpropanoic acid
IUPAC Name (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-3-(trideuteriomethoxy)propanoic acid
Related CAS 177036-94-1 (unlabelled)
Canonical SMILES CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C
InChI InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1/i3D3
Purity > 98%

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