3,4-Secocucurbita-4,24-diene-3,26,29-trioic acid structure
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Common Name | 3,4-Secocucurbita-4,24-diene-3,26,29-trioic acid | ||
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| CAS Number | 329975-47-5 | Molecular Weight | 516.71 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 669.2±20.0 °C at 760 mmHg | |
| Molecular Formula | C31H48O6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 372.5±18.3 °C | |
Use of 3,4-Secocucurbita-4,24-diene-3,26,29-trioic acid(24E)-3,4-Secocucurbita-4,24-diene-3,26,29-trioic acid is a potent PTP1B inhibitor, with an IC50 of 0.4 μM. (24E)-3,4-Secocucurbita-4,24-diene-3,26,29-trioic acid exhibits potent PTP1B inhibitory activity without cytotoxicity[1]. |
| Name | (2E,6R)-6-[(3R,3aR,5aS,7Z,9aR,9bS)-6-(2-Carboxyethyl)-7-(1-carbox yethylidene)-3a,5a,9b-trimethyldodecahydro-1H-cyclopenta[a]naphth alen-3-yl]-2-methyl-2-heptenoic acid |
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| Synonym | More Synonyms |
| Description | (24E)-3,4-Secocucurbita-4,24-diene-3,26,29-trioic acid is a potent PTP1B inhibitor, with an IC50 of 0.4 μM. (24E)-3,4-Secocucurbita-4,24-diene-3,26,29-trioic acid exhibits potent PTP1B inhibitory activity without cytotoxicity[1]. |
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| Related Catalog | |
| Target |
IC50: 0.4 μM (PTP1B)[1] |
| References |
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 669.2±20.0 °C at 760 mmHg |
| Molecular Formula | C31H48O6 |
| Molecular Weight | 516.71 |
| Flash Point | 372.5±18.3 °C |
| Exact Mass | 502.329437 |
| PSA | 111.90000 |
| LogP | 8.45 |
| Vapour Pressure | 0.0±4.4 mmHg at 25°C |
| Index of Refraction | 1.537 |
| InChIKey | MLKGNOBMWJPGDM-HKQAYJIZSA-N |
| SMILES | CC(=CCCC(C)C1CCC2(C)C3CCC(=C(C)C(=O)O)C(CCC(=O)O)C3(C)CCC12C)C(=O)O |
| Hazard Codes | Xi |
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| 1H-Benz[e]indene-6-propanoic acid, 7-(1-carboxyethylidene)-3-[(1R,4E)-5-carboxy-1-methyl-4-hexen-1-yl]dodecahydro-3a,5a,9b-trimethyl-, (3R,3aR,5aS,7Z,9aR,9bS)- |
| (2E,6R)-6-[(3R,3aR,5aS,7Z,9aR,9bS)-6-(2-Carboxyethyl)-7-(1-carboxyethylidene)-3a,5a,9b-trimethyldodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methyl-2-heptenoic acid |