Introduction：Basic information about CAS 1226781-44-7|Omarigliptin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Omarigliptin |
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| CAS Number | 1226781-44-7 | Molecular Weight | 398.427 |
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| Density | 1.6±0.1 g/cm3 | Boiling Point | 529.4±60.0 °C at 760 mmHg |
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| Molecular Formula | C17H20F2N4O3S | Melting Point | / |
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| MSDS | / | Flash Point | 274.0±32.9 °C |
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Names
| Name | Omarigliptin |
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| Synonym | More Synonyms |
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Omarigliptin BiologicalActivity
| Description | Omarigliptin(MK-3102) is a potent, selective and long-acting DPP-4 inhibitor with IC50 of 1.6 nM; highly selective over allproteases tested (IC50 > 67 μM).IC50 value: 1.6 nM [1]Target: DPP-4 inhibitorin vitro: Omarigliptin has weak ion channel activity (IC50 > 30 μM at IKr, Cav1.2, and Nav1.5). An expansive selectivity counterscreen (168 radioligand binding or enzymatic assays) was carried out at MDS Pharma. An IC50 > 10 μM was obtained in all assays. in vivo: When orally administered 1 h prior to dextrose challenge in an oral glucose tolerance test (OGTT), it significantly reduced blood glucose excursion in a dose-dependent manner from 0.01 mg/kg (7% reduction in glucose AUC) to 0.3 mg/kg (51% reduction). |
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| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>Dipeptidyl PeptidaseResearch Areas >>Metabolic Disease |
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| References | [1]. Biftu T, et al. Omarigliptin (MK-3102): a novel long-acting DPP-4 inhibitor for once-weekly treatment of type 2 diabetes. J Med Chem. 2014 Apr 24;57(8):3205-12. |
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Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
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| Boiling Point | 529.4±60.0 °C at 760 mmHg |
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| Molecular Formula | C17H20F2N4O3S |
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| Molecular Weight | 398.427 |
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| Flash Point | 274.0±32.9 °C |
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| Exact Mass | 398.122406 |
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| PSA | 98.83000 |
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| LogP | 0.46 |
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| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
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| Index of Refraction | 1.689 |
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| InChIKey | MKMPWKUAHLTIBJ-ISTRZQFTSA-N |
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| SMILES | CS(=O)(=O)n1cc2c(n1)CN(C1COC(c3cc(F)ccc3F)C(N)C1)C2 |
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| Storage condition | -20℃ |
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Synonyms
| UNII-CVP59Q4JE1 |
| (2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-tetrahydro-2H-pyran-3-amine |
| MK-3102 |
| Omarigliptin |
| (2R,3S,5R)-2-(2,5-Difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amine |
| 2H-Pyran-3-amine, 2-(2,5-difluorophenyl)-5-[2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-, (2R,3S,5R)- |
| MK-3102 |
