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HCID 123740Erstellt: 1. November 2026
4′-O-Demethylversicolactone D
OloMoucin · BUTYROLACTONE I · Butyrolactone I - CAS 87414-49-1 · Butyrolactone I, ATP-competitive cyclin-dependent kinase (CDK) inhibitor · 2,5-Dihydro-4-hydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)benzyl]-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester · 2-Furancarboxylic acid, 2,5-dihydro-4-hydroxy-2-[[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxo-, methyl ester, (2R)-
https://huagongshe.com/de/chemical/123740
Identifikatoren & physikalische Daten
| CAS No. | 87414-49-1 |
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| Summenformel | C24H24O7 |
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| Durchschnittliche Molmasse | 424,449 g/mol |
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| Monoisotopische Masse | 424,15220311 g/mol |
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| SMILES | COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccc(O)cc1 |
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| InChIKey | NGOLMNWQNHWEKU-XMMPIXPASA-N |
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| PubChem CID | 123740 |
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| ChEMBL | CHEMBL517026 |
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| DTXSID | DTXSID50236337 |
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Chemische & physikalische Eigenschaften
| Schmelzpunkt | 74℃ |
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| Siedepunkt | 660.1±55.0 °C(Predicted) |
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| Dichte | 1.353±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Store at -20°C |
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| Löslichkeit | Soluble in ethanol at 25mg/ml or DMSO at 10mg/ml |
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| Aggregatzustand | White solid. |
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| pKa (Säurekonstante) | 8.59±0.40(Predicted) |
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| Farbe | White to off-white |
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| InChI | 1S/C24H24O7/c1-14(2)4-6-17-12-15(5-11-19(17)26)13-30-23(29)24(3)20(21(27)22(28)31-24)16-7-9-18(25)10-8-16/h4-5,7-12,25-27H,6,13H2,1-3H3/t24-/m1/s1 |
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| InChIKey | FPVUCBMBMUHRDX-XMMPIXPASA-N |
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Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 29419000 |
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| Lagerklasse | 11 - Combustible Solids |
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Anwendungen & Verwendung
Verwenden
Butyrolactone I is one of a family of three butyrolactones isolated from Aspergillus fumigatus, first reported in 1983. Butyrolactone I exhibits antitumor activity, inhibiting the cell cycle at the G1/S and G2/M transitions. Butyrolactone I is a selective inhibitor of cyclin-dependent kinases CDK1/cyclin B, CDK2 and CDK5, and is an important bioprobe for understanding the cellular roles of CDKs.
