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| IUPAC Name: | (3S)-2-(2,2-diphenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid |
| Description: | EMA401 is an orally bioavailable, potent and highly selective antagonist of the angiotensin II type 2 receptor (AT2; IC50s = 39.5 and 408,000 nM for rat recombinant AT2 and AT1, respectively). It inhibits capsaicin-induced calcium influx in cultured human dorsal root ganglion (hDRG) neurons (IC50 = 10 nM) and reduces neurite density and length in rat DRG neuronal cultures. |
| Molecular Weight: | 507.6 |
| Molecular Formula: | C32H29NO5 |
| Canonical SMILES: | COC1=C(C2=C(CN(C(C2)C(=O)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)OCC5=CC=CC=C5 |
| InChI: | InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1 |
| InChI Key: | GHBCIXGRCZIPNQ-MHZLTWQESA-N |
| Purity: | ≥ 95 % |
| Appearance: | Crystalline solid |
| Storage: | Sealed in dry, Store in freezer, under -20 ℃ |
| LogP: | 5.38210 |
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