Introduction：Basic information about CAS 1310726-60-3|Upadacitinib, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Upadacitinib |
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| CAS Number | 1310726-60-3 | Molecular Weight | 380.368 |
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| Density | 1.6±0.1 g/cm3 | Boiling Point | / |
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| Molecular Formula | C17H19F3N6O | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | upadacitinib |
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| Synonym | More Synonyms |
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Upadacitinib BiologicalActivity
| Description | Upadacitinib (ABT-494) is a potent and selective Janus kinase (JAK) 1 inhibitor with an IC50 of 43 nM, being developed for the treatment of several autoimmune disorders. |
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| Related Catalog | Signaling Pathways >>Epigenetics >>JAKSignaling Pathways >>JAK/STAT Signaling >>JAKSignaling Pathways >>Stem Cell/Wnt >>JAKResearch Areas >>Inflammation/Immunology |
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| Target | IC50: 43 nM (JAK1), 200 nM (JAK2)[1] |
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| In Vitro | In biochemical assays, Upadacitinib is 74-fold more selective for JAK-1 than for JAK-2 (which is involved in erythropoiesis) and 58-fold more selective for JAK-1 than for JAK-3 (which is involved in immunosurveillance)[1].. The enhanced selectivity of Upadacitinib for JAK-1 over JAK-2 and JAK-3 may offer an improved benefit–risk profile in patients with RA range[2]. |
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| References | [1]. Nakayamada S, et al. Recent Progress in JAK Inhibitors for the Treatment of Rheumatoid Arthritis. BioDrugs. 2016 Oct;30(5):407-419. |
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Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
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| Molecular Formula | C17H19F3N6O |
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| Molecular Weight | 380.368 |
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| Exact Mass | 380.157257 |
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| LogP | 3.06 |
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| Index of Refraction | 1.678 |
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| InChIKey | WYQFJHHDOKWSHR-MNOVXSKESA-N |
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| SMILES | CCC1CN(C(=O)NCC(F)(F)F)CC1c1cnc2cnc3[nH]ccc3n12 |
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Safety Information
Synonyms
| upadacitinib |
| UNII-4RA0KN46E0 |
| (3S,4R)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)-1-pyrrolidinecarboxamide |
| (3S,4R)-3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide |
| 1-Pyrrolidinecarboxamide, 3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)-, (3S,4R)- |
| ABT-494 |
| UNII:4RA0KN46E0 |
