N-(3-Methyl-2-butenyl)guanidine
AlkaPlorer ID: AK006364
Synonym: N-Prenylguanidine, Galegine
IUPAC Name: 2-(3-methylbut-2-enyl)guanidine
Structure
SMILES: CC(C)=CCNC(=N)N
InChI: InChI=1S/C6H13N3/c1-5(2)3-4-9-6(7)8/h3H,4H2,1-2H3,(H4,7,8,9)
InChIKey: UVMLHMAIUVSYOL-UHFFFAOYSA-N
Reference
PubChem CID: 10983
CAS: 543-83-9
LOTUS: LTS0011725
SuperNatural Ⅲ: SN0381250
NPASS: NPC97568
COCONUT: CNP0252546
Source
Properties Information
Molecule Weight: 127.19100000000002
TPSA？: 61.900000000000006
MolLogP？: 0.43567
Number of H-Donors: 3
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-8 | IC50 | 5.0 | ug.mL-1 | 10.1021/np800612x |
| Homo sapiens | HL-60 | IC50 | 5.0 | ug.mL-1 | 10.1021/np800612x |
| Homo sapiens | MDA-MB-435 | IC50 | 5.0 | ug.mL-1 | 10.1021/np800612x |
| Homo sapiens | SF-295 | IC50 | 5.0 | ug.mL-1 | 10.1021/np800612x |
| Mus musculus | Mus musculus | Activity | -36.3 | % | 10.1021/jm8011933 |
| Mus musculus | Mus musculus | Activity | -29.2 | % | 10.1021/jm8011933 |
| Mus musculus | Mus musculus | Activity | -23.6 | % | 10.1021/jm8011933 |
| Mus musculus | Mus musculus | Activity | -16.6 | % | 10.1021/jm8011933 |
| Mus musculus | Mus musculus | Activity | -9.0 | % | 10.1021/jm8011933 |
| Mus musculus | Mus musculus | Activity | -7.3 | % | 10.1021/jm8011933 |
| Mus musculus | Mus musculus | Activity | 53.0 | % | 10.1021/jm8011933 |
| Mus musculus | Mus musculus | Activity | 77.0 | % | 10.1021/jm8011933 |
| Mus musculus | Mus musculus | Activity | 91.0 | % | 10.1021/jm8011933 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1021/jm8011933 |
| Rattus norvegicus | Rattus norvegicus | Change | -33.0 | % | 10.1016/s0960-894x(99)00569-7 |
| Rattus norvegicus | Rattus norvegicus | Change | -27.0 | % | 10.1016/s0960-894x(99)00569-7 |
| Rattus norvegicus | Rattus norvegicus | Change | 31.0 | % | 10.1016/s0960-894x(99)00569-7 |
| Rattus norvegicus | Rattus norvegicus | Change | 32.0 | % | 10.1016/s0960-894x(99)00569-7 |
| Rattus norvegicus | Rattus norvegicus | Change | 70.0 | % | 10.1016/s0960-894x(99)00569-7 |
| Staphylococcus aureus | Staphylococcus aureus | MBC99.9 | 4.0 | mg/ml | 10.1021/np500281c |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 4.0 | ug.mL-1 | 10.1021/np500281c |