Introduction：Basic information about CAS 1448347-49-6|AG-120, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | AG-120 |
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| CAS Number | 1448347-49-6 | Molecular Weight | 582.961 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 854.3±65.0 °C at 760 mmHg |
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| Molecular Formula | C28H22ClF3N6O3 | Melting Point | / |
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| MSDS | / | Flash Point | 470.4±34.3 °C |
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Names
| Name | Ivosidenib |
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| Synonym | More Synonyms |
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AG-120 BiologicalActivity
| Description | Ivosidenib (AG-120) is a mutant isocitrate dehydrogenase 1 (IDH1) inhibitor with an IC50 of 12 nM for mouse IDH1R132H. |
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| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>Isocitrate Dehydrogenase (IDH)Research Areas >>Metabolic Disease |
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| Target | 12 nM (mouse IDH1R132H)[1] |
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| References | [1]. Agresta Samuel V, et al. (S)-N-((S)-1-(2-Chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide as therapeutically active compound for treating cancer characterized by a mutant allele of IDH1. From PCT Int. Appl. (2015), WO 2015127172 A1 20150827. [2]. Gu Chong-Hui, et al. Pharmaceutical compositions of therapeutically active compounds comprising (S)-N-((S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide for treating hematologic malignancies with mutant allele of IDH1. From PCT Int. Appl. (2015), WO 2015138839 A1 20150917. |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 854.3±65.0 °C at 760 mmHg |
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| Molecular Formula | C28H22ClF3N6O3 |
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| Molecular Weight | 582.961 |
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| Flash Point | 470.4±34.3 °C |
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| Exact Mass | 582.139404 |
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| LogP | 0.38 |
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| Vapour Pressure | 0.0±3.2 mmHg at 25°C |
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| Index of Refraction | 1.651 |
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| InChIKey | WIJZXSAJMHAVGX-DHLKQENFSA-N |
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| SMILES | N#Cc1ccnc(N2C(=O)CCC2C(=O)N(c2cncc(F)c2)C(C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1 |
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| Storage condition | -20℃ |
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Synonyms
| AG-120 |
| 2-Pyrrolidinecarboxamide, N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-5-oxo-, (2S)- |
| ivosidenib |
| N-{(1S)-1-(2-Chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-5-oxo-L-prolinamide |
| UNII:Q2PCN8MAM6 |
| (2S)-1-(4-Cyano-2-pyridinyl)-5-oxo-L-prolyl-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-N2-(5-fluoro-3-pyridinyl)glycinamide |
