N-(4-Aminobutyl)-1,4-butanediamine
AlkaPlorer ID: AK011190
Synonym: 4,4'-Diaminodibutylamine, 1,9-Diamino-5-azanonane, sym-Homospermidine, 1,6,11-Triazaundecane
IUPAC Name: bis(4-azaniumylbutyl)azanium
Structure
SMILES: [NH3+]CCCC[NH2+]CCCC[NH3+]
InChI: InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2/p+3
InChIKey: UODZHRGDSPLRMD-UHFFFAOYSA-Q
Reference
Aliphatic pentaamines found in Canavalia gladiata
PubChem CID: 25245489
LOTUS: LTS0018298
SuperNatural Ⅲ: SN0375627
NPASS: NPC75154
COCONUT: CNP0224806
{NPAtlas: NPA006881
Source
Properties Information
Molecule Weight: 162.30100000000002
TPSA？: 71.89
MolLogP？: -2.405999999999997
Number of H-Donors: 3
Number of H-Acceptors: 0
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cricetulus griseus | CHO | Growth inhibition | nan | None | 10.1021/jm00016a008 |
| Homo sapiens | T47D | Ki | 2700.0 | nM | 10.1016/s0960-894x(03)00668-1 |
| Mus musculus | L1210 | IC50 | 3000.0 | nM | 10.1021/jm960849j |
| Mus musculus | L1210 | IC50 | 100000.0 | nM | 10.1021/jm960849j |
| Mus musculus | L1210 | Polyamine | 0.0 | % | 10.1021/jm960849j |
| Mus musculus | L1210 | Polyamine | 2.0 | % | 10.1021/jm960849j |
| Mus musculus | L1210 | Polyamine | 4.0 | % | 10.1021/jm960849j |
| Mus musculus | L1210 | Polyamine | 21.0 | % | 10.1021/jm960849j |
| Mus musculus | L1210 | Polyamine | 32.0 | % | 10.1021/jm960849j |
| Mus musculus | S-adenosylmethionine decarboxylase 1 | AdoMetDC | 54.0 | % | 10.1021/jm960849j |
| Mus musculus | Spermidine/spermine N(1)-acetyltransferase (SAT) | SSAT | 430.0 | % | 10.1021/jm960849j |
| Rattus norvegicus | Deoxyhypusine synthase | IC50 | 556000.0 | nM | 10.1021/jm00016a008 |
| None | Molecular identity unknown | Ki | 3400.0 | nM | 10.1021/jm960849j |
| None | Unchecked | Ki | 2300.0 | nM | 10.1021/jm020598g |
| None | Unchecked | ODC | 11.0 | % | 10.1021/jm960849j |