| Identification | Back Directory | [Name]
Imidazo[4',5':4,5]cyclopenta[1,2-e]pyrrolo[1,2-a]pyrazine-4,7-dione, 1-bromo-5,5a,5b,6,8,8a,9,9a-octahydro-8a-hydroxy-8-methyl-, (5aS,5bS,8aS,9aR)- | [CAS]
152406-28-5 | [Synonyms]
Agelastatin A
(-)-Agelastatin A
()Agelastatin A,( ) Agelastatin A
Imidazo[4',5':4,5]cyclopenta[1,2-e]pyrrolo[1,2-a]pyrazine-4,7-dione, 1-bromo-5,5a,5b,6,8,8a,9,9a-octahydro-8a-hydroxy-8-methyl-, (5aS,5bS,8aS,9aR)- | [Molecular Formula]
C12H13BrN4O3 | [MOL File]
152406-28-5.mol | [Molecular Weight]
341.16 |
| Chemical Properties | Back Directory | [Melting point ]
193 °C (decomp) | [Boiling point ]
760.7±60.0 °C(Predicted) | [density ]
2.24±0.1 g/cm3(Predicted) | [pka]
12.13±0.40(Predicted) |
| Hazard Information | Back Directory | [Uses]
Agelastatin A ((-)-Agelastatin A; AglA), a tetracyclic alkaloid isolated from the sponge Agelas dendromorpha, induces apoptosis and arrests cells in the G2/M phase of the cell cycle, exhibiting antitumor activity[1]. | [in vivo]
The pharmacokinetic parameters of Agelastatin A(1a) a single 2.5 mg/kg dose in mice[2].
| Parameter/td>
| intravenous (IV) | intraperitoneal (IP) | |
| ACU | 1742 | 2946 | |
| Cmax | 4.5 μM | 1.65 μM | |
| Tmax | 2 min | 30 min | |
| t1/2 | 4 min | 1 h | |
|
| [References]
[1] Sunkyu Han, et al. Synthesis and anticancer activity of all known (-)-agelastatin alkaloids. J Org Chem. 2013 Dec 6;78(23):11970-84. DOI:10.1021/jo4020112
[2] E Paige Stout, et al. Potent fluorinated agelastatin analogues for chronic lymphocytic leukemia: design, synthesis, and pharmacokinetic studies. J Med Chem. 2014 Jun 26;57(12):5085-93. doi: 10.1021/jm4016922. Epub 2014 Jun. DOI:10.1021/jm4016922 |
| Spectrum Detail | Back Directory | [Spectrum Detail]
Imidazo[4',5':4,5]cyclopenta[1,2-e]pyrrolo[1,2-a]pyrazine-4,7-dione, 1-bromo-5,5a,5b,6,8,8a,9,9a-octahydro-8a-hydroxy-8-methyl-, (5aS,5bS,8aS,9aR)-(152406-28-5)1HNMR
|
|
|