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Chemical structure of EMA401

GC19137

EMA401

Also known as (3S)-2-(2,2-diphenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

EMA401 (EMA401) is a highly selective, orally active, peripherally restricted angiotensin II type 2 receptor (AT2R) antagonist

ChemicalCAS1316755-16-4MW507.58FormulaC32H29NO5
CAS number
1316755-16-4
Molecular weight
507.58
Formula
C32H29NO5
Solubility
DMSO ： ≥ 34 mg/mL (66·98 mM)
InChIKey
GHBCIXGRCZIPNQ-MHZLTWQESA-N
Catalogue number
GC19137
Brand
GLPBIO
Computed properties PubChem CID 9937291 · XLogP 5.6 · TPSA 76.1 Ų · H-bond donors 1
XLogP
5.6
TPSA
76.1 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
38

SMILES COC1=C(C2=C(CN([C@@H](C2)C(=O)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)OCC5=CC=CC=C5

Computed descriptors from PubChem (CID 9937291), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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