Introduction：Basic information about CAS 918659-56-0|Chaetominine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Chaetominine |
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| CAS Number | 918659-56-0 | Molecular Weight | 402.40 |
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| Density | 1.6±0.1 g/cm3 | Boiling Point | 720.7±70.0 °C at 760 mmHg |
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| Molecular Formula | C22H18N4O4 | Melting Point | / |
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| MSDS | / | Flash Point | 389.6±35.7 °C |
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Names
| Name | (2S,4R,5aS,9cS)-5a-Hydroxy-2-methyl-4-(4-oxo-3(4H)-quinazolinyl)-4,5,5a,9c-tetrahydro-3H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione |
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| Synonym | More Synonyms |
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Chaetominine BiologicalActivity
| Description | Chaetominine is an alkaloidal metabolite. Chaetominine has cytotoxicity against human leukemia K562 and colon cancer SW1116 cell lines. Chaetominine reduces MRP1-mediated drug resistance via inhibiting PI3K/Akt/Nrf2 signaling pathway in K562/Adr human leukemia cells[1][2]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>NF-κB >>Keap1-Nrf2Signaling Pathways >>PI3K/Akt/mTOR >>PI3KSignaling Pathways >>PI3K/Akt/mTOR >>Akt |
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| Target | PI3K, Akt, Nrf2[2] |
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| References | [1]. Jiao RH, et al. Chaetominine, a cytotoxic alkaloid produced by endophytic Chaetomium sp. IFB-E015. Org Lett. [2]. Yao J, et al. Chaetominine reduces MRP1-mediated drug resistance via inhibiting PI3K/Akt/Nrf2 signaling pathway in K562/Adr human leukemia cells. Biochem Biophys Res Commun. 2016;473(4):867-873. |
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Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
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| Boiling Point | 720.7±70.0 °C at 760 mmHg |
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| Molecular Formula | C22H18N4O4 |
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| Molecular Weight | 402.40 |
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| Flash Point | 389.6±35.7 °C |
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| Exact Mass | 402.132813 |
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| PSA | 95.74000 |
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| LogP | 0.61 |
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| Vapour Pressure | 0.0±2.4 mmHg at 25°C |
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| Index of Refraction | 1.822 |
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| InChIKey | GEURDGODABUDHB-TYTLQBBQSA-N |
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| SMILES | CC1C(=O)N2c3ccccc3C3(O)CC(n4cnc5ccccc5c4=O)C(=O)N1C23 |
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Synonyms
| Chaetominine |
| (2S,4R,5aS,9cS)-5a-Hydroxy-2-methyl-4-(4-oxo-3(4H)-quinazolinyl)-4,5,5a,9c-tetrahydro-3H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione |
| cc-559 |
| 3H-2a,9b-Diazacyclopenta[jk]fluorene-1,3(2H)-dione, 4,5,5a,9c-tetrahydro-5a-hydroxy-2-methyl-4-(4-oxo-3(4H)-quinazolinyl)-, (2S,4R,5aS,9cS)- |
| chaetomimine |
| (2S,4R,5aS,9cS)-5a-hydroxy-2-methyl-4-(4-oxoquinazolin-3(4H)-yl)-4,5,5a,9c-tetrahydro-3H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione |
