HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 123740Generated: November 1, 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)-
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Identifiers & Physical Properties
| CAS No. | 87414-49-1 |
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| Molecular formula | C24H24O7 |
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| Average molar mass | 424.449 g/mol |
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| Monoisotopic mass | 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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Chemical & Physical Properties
| Melting point | 74℃ |
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| Boiling point | 660.1±55.0 °C(Predicted) |
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| Density | 1.353±0.06 g/cm3(Predicted) |
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| RTECS number | LU0221600 |
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| Storage conditions | Store at -20°C |
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| Solubility | Soluble in ethanol at 25mg/ml or DMSO at 10mg/ml |
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| Physical state | White solid. |
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| pKa (acidity coefficient) | 8.59±0.40(Predicted) |
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| Color | White to off-white |
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| Sensitivity | Light Sensitive |
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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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| FDA UNII | HKM4266XIK |
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| UNSPSC Code | 12352200 |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
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| Water hazard class (WGK) | WGK 3 |
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| Customs code | 29419000 |
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| Storage class | 11 - Combustible Solids |
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Safety & Regulations
| Water hazard class (WGK) | WGK 3 |
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| Customs code | 29419000 |
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| GHS pictogram | GHS07 |
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| Storage class | 11 - Combustible Solids |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
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Applications & Uses
Uses
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.
