Roquefortine E
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| Category | Others |
| Catalog number | BBF-03957 |
| CAS | 871982-52-4 |
| Molecular Weight | 457.57 |
| Molecular Formula | C27H31N5O2 |
| Purity | >95% by HPLC |
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Description
An analogue of roquefortine C, containing an additional isoprenyl unit on the imidazole similar to phenylhistin. Roquefortine E is an antimitotic agent. It is a selective, albeit weakly active, antitumour agent.
Specification
| Storage | Store at -20°C |
| IUPAC Name | (1S,4E,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione |
| Canonical SMILES | CC(C)(C=C)C1=C(N=CN1)C=C2C(=O)N3C(CC4(C3NC5=CC=CC=C54)C(C)(C)C=C)C(=O)N2 |
| InChI | InChI=1S/C27H31N5O2/c1-7-25(3,4)21-18(28-15-29-21)13-19-23(34)32-20(22(33)30-19)14-27(26(5,6)8-2)16-11-9-10-12-17(16)31-24(27)32/h7-13,15,20,24,31H,1-2,14H2,3-6H3,(H,28,29)(H,30,33)/b19-13+/t20-,24-,27+/m0/s1 |
| InChI Key | YOEIOWQHMDDCDD-HJILTBFVSA-N |
| Source | Gymnoascus reesii |
Properties
| Appearance | White Solid |
| Antibiotic Activity Spectrum | neoplastics (Tumor) |
| Solubility | Soluble in ethanol, methanol, DMF, DMSO |
Reference Reading
1. Roquefortine E, a diketopiperazine from an Australian isolate of Gymnoascus reessii
Jennifer H Gill, Robert J Capon, Ernest Lacey, Shaun Tennant, Ben Clark J Nat Prod . 2005 Nov;68(11):1661-4. doi: 10.1021/np0503101.
The new isoprenylated diketopiperazine roquefortine E (6) has been isolated from an Australian soil isolate of the ascomycete Gymnoascus reessii. The known fungal metabolite roquefortine C (1) was also recovered as the major antibacterial principle, and all structures were assigned by detailed spectroscopic analysis.
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
