ethyl (6R)-4-methyl-6-(3-nitrophenyl)-2-oxo-3,6-dihydro-1H-pyrimidine-5-carboxylate
AlkaPlorer ID: AK491954
Synonym: None
IUPAC Name: ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Structure
SMILES: CCOC(=O)C1=C(C)NC(=O)NC1C1=CC=CC([N+](=O)[O-])=C1
InChI: InChI=1S/C14H15N3O5/c1-3-22-13(18)11-8(2)15-14(19)16-12(11)9-5-4-6-10(7-9)17(20)21/h4-7,12H,3H2,1-2H3,(H2,15,16,19)
InChIKey: PPBNQKLDXXHPMH-UHFFFAOYSA-N
Reference
Androstane and pregnane 2β,19-hemiketal steroids from Trichilia claussenii
PubChem CID: 2794050
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 305.2900000000001
TPSA？: 110.57
MolLogP？: 1.7858
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Voltage-gated L-type calcium channel | Relaxation | 1.0 | % | 10.1021/jm00171a044 |
| Sus scrofa | Pancreatic alpha-amylase | Inhibition | 26.5 | % | 10.1016/j.bmcl.2014.04.099 |
| None | NON-PROTEIN TARGET | EC50 | 1.16 | ug.mL-1 | 10.1007/s00044-012-9987-z |
| None | NON-PROTEIN TARGET | EC50 | 339.06 | ug.mL-1 | 10.1007/s00044-012-9987-z |
| None | NON-PROTEIN TARGET | IC50 | 27.73 | ug.mL-1 | 10.1007/s00044-012-9987-z |
| None | Unchecked | IC50 | 50000.0 | nM | 10.1021/acs.jmedchem.0c01180 |
| None | Unchecked | IC50 | 132000.0 | nM | 10.1016/j.ejmech.2012.04.043 |
| None | Unchecked | IC50 | 282000.0 | nM | 10.1016/j.ejmech.2012.04.043 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.ejmech.2012.04.043 |