Sch 575948
AlkaPlorer ID: AK045328
Synonym: ''
IUPAC Name: 4-(diaminomethylideneamino)butyl (3R)-1-amino-3-pentyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
Structure
SMILES: CCCCC[C@H]1NC(=N)N2CCCC2=C1C(=O)OCCCCNC(=N)N
InChI: InChI=1S/C18H32N6O2/c1-2-3-4-8-13-15(14-9-7-11-24(14)18(21)23-13)16(25)26-12-6-5-10-22-17(19)20/h13H,2-12H2,1H3,(H2,21,23)(H4,19,20,22)/t13-/m1/s1
InChIKey: VKQSKJXXPPHWRG-CYBMUJFWSA-N
Reference
A New Bicyclic Guanidine Alkaloid, Sch 575948, from a Marine Sponge, Ptilocaulis spiculifer
PubChem CID: 122177649
LOTUS: LTS0260340
NPASS: NPC489606
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 364.4940000000001
TPSA？: 127.32
MolLogP？: 1.629640000000001
Number of H-Donors: 5
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC50 | 39000.0 | nM | 10.1021/np501052a |
| Candida albicans | Candida albicans | MIC90 | 49000.0 | nM | 10.1021/np501052a |
| Cryptococcus gattii | Cryptococcus bacillisporus | MIC50 | 2500.0 | nM | 10.1021/np501052a |
| Cryptococcus gattii | Cryptococcus bacillisporus | MIC90 | 4900.0 | nM | 10.1021/np501052a |
| Nakaseomyces glabratus | Nakaseomyces glabratus | MIC50 | 17000.0 | nM | 10.1021/np501052a |
| Nakaseomyces glabratus | Nakaseomyces glabratus | MIC90 | 41000.0 | nM | 10.1021/np501052a |
| Pichia kudriavzevii | Pichia kudriavzevii | MIC50 | 34000.0 | nM | 10.1021/np501052a |
| Pichia kudriavzevii | Pichia kudriavzevii | MIC90 | 59000.0 | nM | 10.1021/np501052a |
| Staphylococcus aureus | Staphylococcus aureus | IZ | 8.0 | mm | 10.1021/np501052a |