Purealidin H; O4-(3-Aminopropyl)
AlkaPlorer ID: AK311676
Synonym: Purealidin A
IUPAC Name: (2E)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromophenyl]-2-hydroxyiminopropanamide
Structure
SMILES: N=C1NC=C(CCN=C(O)/C(CC2=CC(Br)=C(OCCCN)C(Br)=C2)=N\O)N1
InChI: InChI=1S/C17H22Br2N6O3/c18-12-6-10(7-13(19)15(12)28-5-1-3-20)8-14(25-27)16(26)22-4-2-11-9-23-17(21)24-11/h6-7,9,27H,1-5,8,20H2,(H,22,26)(H3,21,23,24)/b25-14-
InChIKey: VZDKEGKTDBWXJY-QFEZKATASA-N
Reference
Three new bromotyrosine derivatives lethal to crab from the marine sponge, Pseudoceratina purpurea
PubChem CID: 6399281
CAS: 134850-51-4
LOTUS: LTS0097117
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoceratina verrucosa | Pseudoceratina | Pseudoceratinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 518.2100000000003
TPSA？: 155.86
MolLogP？: 2.64677
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 2008 | GI50 | 50000.0 | nM | 10.1021/jm051030l |
| Homo sapiens | HT-29 | GI50 | 50000.0 | nM | 10.1021/jm051030l |
| Homo sapiens | MDA-MB-231 | GI50 | 50000.0 | nM | 10.1021/jm051030l |
| Homo sapiens | PC-3 | GI50 | 50000.0 | nM | 10.1021/jm051030l |
| Mus musculus | L1210 | GI50 | 4700.0 | nM | 10.1021/jm051030l |
| Rattus norvegicus | Dynein heavy chain | IC50 | 42000.0 | nM | 10.1021/jm051030l |