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SML3064

Atopaxar hydrobromide

≥98% (HPLC)

Synonym(s):

1-(3-tert-Butyl-4-methoxy-5-morpholinophenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-1,3-dihydro-2H-isoindol-2-yl)ethanone hydrobromide, 2-(5,6-Diethoxy-7-fluoro-1,3-dihydro-1-imino-2H-isoindol-2-yl)-1-[3-(1,1-dimethylethyl)-4-methoxy-5-(4-morpholinyl)phenyl]ethanone, monohydrobromide, E 5555, E-5555, E5555, ER 172594-06, ER-172594-00 hydrobromide

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About This Item

Empirical Formula (Hill Notation):
C29H38FN3O5 · xHBr
CAS Number:
751475-53-3
Molecular Weight:
527.63 (free base basis)
NACRES:
NA.77
UNSPSC Code:
51111800
Assay:
≥98% (HPLC)
Form:
powder
Quality level:
100
Storage condition:
desiccated
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Quality Level

100

assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

O=C(CN1C(C2=C(C(OCC)=C(C=C2C1)OCC)F)=N)C(C=C3N4CCOCC4)=CC(C(C)(C)C)=C3OC.[xHBr]

InChI

1S/C29H38FN3O5/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32/h13-15,31H,7-12,16-17H2,1-6H3

InChI key

QWKAUGRRIXBIPO-UHFFFAOYSA-N

Biochem/physiol Actions

Atopaxar (E5555) is an orally active, potent and selective thrombin receptor (protease-activated receptor; PAR1) antagonist (IC50 = 19 nM/E5555 vs. 490 nM/TRAP against 10 nM haTRAP for PAR-1 binding on human platelet membranes) that inhibits platelet aggregation induced by thrombin or TRAP T (human platelet IC50 = 64/31 nM against 1 u/mL Thrombin/5 μM TRAP; guinea pig IC50 = 13/97 nM against 2 u/mL Thrombin/20 μM TRAP), but not ADP, U46619, collagen, PAR-4ap or PAF. Atopaxar exhibits antithrombotic efficacy in guinea pigs and rats in vivo (10, 30, 100 mg/kg p.o.).
Orally active, potent and selective thrombin receptor (protease-activated receptor; PAR1) antagonist with antithrombotic efficacy in vivo.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000135066
0000135067
0000133152

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Global Trade Item Number

SKUGTIN
SML3064-5MG04065266411447
SML3064-25MG04065266411430