Introduction：Basic information about CAS 935273-79-3|MK-4101, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | MK-4101 |
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| CAS Number | 935273-79-3 | Molecular Weight | 493.472 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 606.1±65.0 °C at 760 mmHg |
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| Molecular Formula | C24H24F5N5O | Melting Point | / |
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| MSDS | / | Flash Point | 320.4±34.3 °C |
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Names
| Name | 5-(3,3-Difluorocyclobutyl)-3-(4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]oct-1-yl)-1,2,4-oxadiazole |
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| Synonym | More Synonyms |
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MK-4101 BiologicalActivity
| Description | MK-4101 is a potent SMO Inhibitor of the Hedgehog Pathway, highly active against Medulloblastoma and Basal Cell Carcinoma.target:SMOIn vivo: MK-4101 was highly efficacious against primary medulloblastoma and BCC developing in the cerebellum and skin of Ptch1+/- mice.In vitro: MK-4101 induce deregulation of cell cycle and block of DNA replication in tumors. MK-4101 targets the Hh pathway in tumor cells, showing the maximum inhibitory effect on Gli1. MK-4101 also induce deregulation of cell cycle and block of DNA replication in tumors. |
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| Related Catalog | Signaling Pathways >>Stem Cell/Wnt >>SmoResearch Areas >>Cancer |
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| References | [1]. Filocamo G et al. MK-4101, a Potent Inhibitor of the Hedgehog Pathway, Is Highly Active against Medulloblastoma and Basal Cell Carcinoma. Mol Cancer Ther. 2016 Jun;15(6):1177-89. |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 606.1±65.0 °C at 760 mmHg |
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| Molecular Formula | C24H24F5N5O |
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| Molecular Weight | 493.472 |
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| Flash Point | 320.4±34.3 °C |
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| Exact Mass | 493.190094 |
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| LogP | 4.58 |
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| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
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| Index of Refraction | 1.654 |
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| InChIKey | HKJOIWLYDJCTQR-UHFFFAOYSA-N |
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| SMILES | Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(c3noc(C4CC(F)(F)C4)n3)(CC1)CC2 |
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| Storage condition | -20℃ |
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Synonyms
| 5-(3,3-Difluorocyclobutyl)-3-(4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]oct-1-yl)-1,2,4-oxadiazole |
| 1,2,4-Oxadiazole, 5-(3,3-difluorocyclobutyl)-3-[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]bicyclo[2.2.2]oct-1-yl]- |
| MK-4101 |
