Introduction：Basic information about CAS 302781-98-2|Desfluoro-ezetimibe, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Desfluoro-ezetimibe |
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| CAS Number | 302781-98-2 | Molecular Weight | 391.435 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 642.8±55.0 °C at 760 mmHg |
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| Molecular Formula | C24H22FNO3 | Melting Point | / |
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| MSDS | / | Flash Point | 342.6±31.5 °C |
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Names
| Name | (3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-phenylazetidin-2-one |
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| Synonym | More Synonyms |
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Desfluoro-ezetimibe BiologicalActivity
| Description | Desfluoro-ezetimibe is a desfluoro impurity of Ezetimibe. Ezetimibe is a potent, metabolically stable cholesterol absorption inhibitor. Ezetimibe is a Niemann-Pick C1-like1 (NPC1L1) inhibitor, and is a potent Nrf2 activator[1][2]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>NF-κB >>Keap1-Nrf2Research Areas >>Cardiovascular DiseaseSignaling Pathways >>Autophagy >>Autophagy |
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| In Vitro | During the synthetic process development studies of Ezetimibe, an impurity was detected in the final product at levels ranging from 0.05% to 0.15% in reverse phase gradient high performance liquid chromatography (HPLC) method and its molecular weight is determined by LC–MS analysis. The impurity is Desfluoro-ezetimibe[1]. |
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| References | [1]. Bellur Atici E, et al. Identification, synthesis and characterization of process related desfluoro impurity of ezetimibe and HPLC method validations. J Pharm Anal. 2015 Dec;5(6):356-370. [2]. Lee DH, et al. Ezetimibe, an NPC1L1 inhibitor, is a potent Nrf2 activator that protects mice from diet-induced nonalcoholic steatohepatitis. Free Radic Biol Med. 2016 Sep 12;99:520-532. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 642.8±55.0 °C at 760 mmHg |
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| Molecular Formula | C24H22FNO3 |
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| Molecular Weight | 391.435 |
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| Flash Point | 342.6±31.5 °C |
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| Exact Mass | 391.158386 |
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| PSA | 60.77000 |
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| LogP | 3.20 |
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| Vapour Pressure | 0.0±2.0 mmHg at 25°C |
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| Index of Refraction | 1.635 |
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| InChIKey | YWZUFJFIXFJKBD-XPWALMASSA-N |
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| SMILES | O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccccc1 |
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Safety Information
Synonyms
| 2-Azetidinone, 3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-phenyl-, (3R,4S)- |
| Desfluoro Ezetimibe |
| (3R,4S)-3-[(3S)-3-(4-Fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-phenyl-2-azetidinone |
| Ezetimibe Impurity 8 |
