200264-70-6
AlkaPlorer ID: AK038075
Synonym: '', 'Longamide B'
IUPAC Name: 2-[(4S)-6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid
Structure
SMILES: O=C(O)C[C@H]1CNC(=O)C2=CC(Br)=C(Br)N21
InChI: InChI=1S/C9H8Br2N2O3/c10-5-2-6-9(16)12-3-4(1-7(14)15)13(6)8(5)11/h2,4H,1,3H2,(H,12,16)(H,14,15)/t4-/m0/s1
InChIKey: DRDCMECERMJRNR-BYPYZUCNSA-N
Reference
New bromopyrrole alkaloids from the marine sponge Agelas sp.
PubChem CID: 11602770
LOTUS: LTS0211299
NPASS: NPC474383
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas dispar | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 351.982
TPSA？: 71.33000000000001
MolLogP？: 1.7723
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 45.0 | ug.mL-1 | 10.1021/np970323h |
| Homo sapiens | Indoleamine 2,3-dioxygenase | Inhibition | 30.0 | % | 10.1016/j.ejmech.2020.113071 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 55.0 | ug.mL-1 | 10.1021/np970323h |