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Merck

SML2277

A192621

≥98 (HPLC)

Synonym(s):

(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid, A-192621

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About This Item

Empirical Formula (Hill Notation):
C33H38N2O6
CAS Number:
Molecular Weight:
558.66
UNSPSC Code:
12352200
MDL number:
NACRES:
NA.21
Assay:
≥98% (HPLC)
Form:
powder
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assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

−20°C

SMILES string

O=C(NC1=C(CC)C=CC=C1CC)CN(C[C@H](C2=CC3=C(OCO3)C=C2)[C@H]4C(O)=O)[C@H]4C5=CC=C(OCCC)C=C5

InChI

1S/C33H38N2O6/c1-4-16-39-25-13-10-23(11-14-25)32-30(33(37)38)26(24-12-15-27-28(17-24)41-20-40-27)18-35(32)19-29(36)34-31-21(5-2)8-7-9-22(31)6-3/h7-15,17,26,30,32H,4-6,16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1

InChI key

LQEHCKYYIXQEBM-FUKIBTTHSA-N

Biochem/physiol Actions

A192621 is a selective; orally available ETB endothelin receptor antagonist. A192621 has been shown to cause an increase in arterial blood pressure and to promote apoptosis in human pulmonary arterial smooth muscle cells.
Selective; orally available ETB endothelin receptor antagonist


Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



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