Agerafenib
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| IUPAC name
1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
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Other names
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3D model (JSmol)
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PubChem CID
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CompTox Dashboard (EPA)
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| Properties | |
| C24H22F3N5O5 | |
| Molar mass | 517.465 g·mol−1 |
| Solubility | ≥ 25.85 mg/mL in DMSO |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Agerafenib is a selective multi-kinase inhibitor. It is undergoing a trial to test its ability to treat malignant tumors in humans. It is effective in doses ranging between 30 milligrams and 100 milligrams. It is also known as CEP-32496 and RXDX 105. It is a strong inhibitor of the BRAF gene, which is commonly found in cancerous cells.
Discovery
[edit | edit source]Agerafenib was originally discovered by a company called Daiichi Sankyo (then called Ambit Biosciences) and Teva Pharmaceuticals (then called Cephalon) during a research program.[1] The chemical was originally named "CEP-32496" before being renamed to "RXDX 105" in 2015.[1] It is currently undergoing a clinical trial to test its effectiveness against cancer in humans.[2]
Characteristics
[edit | edit source]Agerafenib's chemical formula consists of 24 carbon atoms, 22 hydrogen atoms, 3 fluorine atoms, 5 nitrogen atoms and 5 oxygen atoms.[3] The chemical's molar mass is 517.465 g/mol, and the monoisotopic mass is 517.157303 g/mol.[4] It appears as a white to off-white crystalline powder in room temperature.[5] Agerafenib has 5 hydrogen bond acceptors and 2 hydrogen bond donors.[6] It has an partition coefficient of 4.35. It has 10 rotatable bonds and a topological polar surface area of 120.63.[6]
The chemical is a strong inhibitor of the BRAF gene, which is present in around 7% of all malignant tumors.[7] It does this due to its strong cytotoxicity to cells containing it.[7] Agerafenib also inhibits phosphorylation in mitogen-activated protein kinase (an enzyme that causes certain cellular responses).[8] The drug is shown to be most effective in humans in doses between 30 milligrams and 100 milligrams.[9]
References
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