Introduction：Basic information about CAS 751475-53-3|Atopaxar, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Atopaxar |
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| CAS Number | 751475-53-3 | Molecular Weight | 527.62800 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C29H38FN3O5 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone |
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| Synonym | More Synonyms |
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Atopaxar BiologicalActivity
| Description | Atopaxar (E5555) is a potent, orally active, selective and reversible thrombin receptor protease-activated receptor-1 (PAR-1) antagonist. Atopaxar interferes with platelet signaling. Atopaxar can be used for the research of atherothrombotic disease[1][2]. |
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| Related Catalog | Research Areas >>Cardiovascular DiseaseSignaling Pathways >>GPCR/G Protein >>Protease-Activated Receptor (PAR) |
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| Target | PAR-1[1] |
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| In Vitro | Atopaxar inhibits haTRAP (high-affinity thrombin receptor activating peptide) binding to PAR-1 on human platelet membranes in a concentration-dependent manner with an IC50 of 0.019 μM[2]. Atopaxar inhibits human platelet aggregation induced by thrombin or TRAP in a concentration-dependent manner[2]. Atopaxar does not inhibit PRP (platelet-rich plasma) aggregation induced by ADP, U46619, collagen, and PAR-4ap, up to a concentration of 20 μM[2]. |
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| In Vivo | Atopaxar (30-100 mg/kg; p.o.) prolongs the time to occlusion by 1.8-fold and 2.4-fold, respectively, compared with controls[2]. Atopaxar does not prolong bleeding time in guinea pigs at the highest tested dosage of 1000 mg/kg[2]. Animal Model: Guinea pigs, photo-chemically-induced thrombosis (PIT) model[2] Dosage: Oral administration Administration: 10 mg/kg, 30 mg/kg, 100 mg/kg Result: At 30 and 100 mg/kg prolonged the time to occlusion by 1.8-fold and 2.4-fold, respectively, compared with controls. |
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| References | [1]. Chris Dockendorff, et al. Discovery of 1,3-Diaminobenzenes as Selective Inhibitors of Platelet Activation at the PAR1 Receptor. ACS Med Chem Lett. 2012 Mar 8; 3(3): 232–237. [2]. Motoji Kogushi, et al. The novel and orally active thrombin receptor antagonist E5555 (Atopaxar) inhibits arterial thrombosis without affecting bleeding time in guinea pigs. Eur J Pharmacol. 2011 Apr 25;657(1-3):131-7. |
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Chemical & Physical Properties
| Molecular Formula | C29H38FN3O5 |
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| Molecular Weight | 527.62800 |
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| Exact Mass | 527.28000 |
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| PSA | 84.32000 |
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| LogP | 4.89230 |
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| InChIKey | QWKAUGRRIXBIPO-UHFFFAOYSA-N |
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| SMILES | CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(OC)c(C(C)(C)C)c1)C2 |
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Synonyms
| Atopaxar |
| UNII-HTI275SD2D |
| E-5555 |
