3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione
AlkaPlorer ID: AK146900
Synonym: None
IUPAC Name: (3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione
Structure
SMILES: CN1C(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H]1CC1=CC=CC=C1
InChI: InChI=1S/C20H22N2O2/c1-21-17(13-15-9-5-3-6-10-15)20(24)22(2)18(19(21)23)14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKey: KNKXKVUFAHAVOL-ROUUACIJSA-N
Reference
Synthesis of a reported calpain inhibitor isolated from Streptomyces griseus
PubChem CID: 6454124
CAS: 61125-52-8
LOTUS: LTS0181275
NPASS: NPC473418
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces griseus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 322.408
TPSA？: 40.620000000000005
MolLogP？: 2.1394
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Calpain 1 | Inhibition | 0.0 | % | 10.1016/j.bmcl.2005.04.031 |
| Sus scrofa | Calpain small subunit 1 | Activity | nan | None | 10.1016/s0960-894x(01)00524-8 |