![]() The molecular structure of agerfenib | |
Names | |
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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 | |
Other names
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Identifiers | |
3D model (JSmol) | |
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ChemSpider | |
DrugBank | |
PubChem CID | |
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CompTox Dashboard (EPA) | |
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Properties | |
C24H22F3N5O5 | |
Molar mass | 517.5 g/mol |
≥ 25.85mg/mL in DMSO | |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). |
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 that is commonly found in cancerous cells.
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]
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]