Basic information
- CAS
126509-46-4- Standard SMILES
C=C(C)C[C@H](NC(=O)C(CO)NC(=O)CCCCC(C)C)C(=O)[C@@]1(CO)CO1- InChIKey
ZPLVYYNMRMBNGE-XNKIQEMOSA-N- Molecular formula
- C20H34N2O6
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.24168681
Names & identifiers
- Preferred name
- N-[1,3-Dihydroxy-1-({1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl}imino)propan-2-yl]-6-methylheptanimidic acid
- IUPAC
- N-[3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl]amino]-1-oxopropan-2-yl]-6-methylheptanamide
- English name
- eponemycin
- Molecular formula
- C20H34N2O6
- Molecular weight
- 398.49
Names & synonyms
SCHEMBL19890116DTXSID70925574N-[1,3-Dihydroxy-1-({(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl}imino)propan-2-yl]-6-methylheptanimidic acidN-[1,3-Dihydroxy-1-({1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl}imino)propan-2-yl]-6-methylheptanimidic acideponemycinHeptanamide, N-[(1S)-1-(hydroxymethyl)-2-[[(1S)-1-[[(2R)-2-(hydroxymethyl)-2-oxiranyl]carbonyl]-3-methyl-3-buten-1-yl]amino]-2-oxoethyl]-6-methyl-
Database identifiers
- CAS
126509-46-4- PubChem CID
- 196802
- DTXSID
DTXSID70925574
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 577
Chemistry & industry
Applications
UsesEponemycin is an antibiotic that exhibits antitumor activity. Eponemycin exhibits cytotoxicity in cancer cells B16-F10, L1210, P388 and HCT-116 with IC50 of 0.0017, 0.01, 0.031 and 0.0097 μg/mL, respectively. Eponemycin inhibits the DNA synthesis in B16-F10 and Mitomycin C with IC50 of 0.1 μg/mL and 0.41 μg/mL[1].
Suppliers3 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…