Basic information
- CAS
106314-87-8- Standard SMILES
CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O- InChIKey
HLSQLCOADIMQBK-MNNMKWMVSA-N- Molecular formula
- C23H36N4O5
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 448.26857026
Overview
structure (with minor error) given in first source; inhibits the action of human recombinant interleukin-1beta and glycosaminoglycan synthesis; metalloproteinase inhibitor
Names & identifiers
- Preferred name
- U 27391
- IUPAC
- N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
- English name
- U 27391
- Molecular formula
- C23H36N4O5
- Molecular weight
- 448.56
Names & synonyms
106314-87-8U27391U 27391U-27391RefChem:192782N-(2-(2-(Hydroxyamino)-2-oxoethyl)-4-methyl-1-oxopentyl)-L-leucyl-L-phenylalaninamideN-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamideL-Phenylalaninamide,N-[2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]-L-leucyl- (9CI)N-[2-[2-(Hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]-L-leucyl-L-phenylalaninamideU-24522orb1701498SCHEMBL7370918
Show more names
DTXSID40909982AKOS030610508DA-58844HY-114581CS-0063466T26304L-Phenylalaninamide, N-(2-(2-(hydroxyamino)-2-oxoethyl)-4-methyl-1-oxopentyl)-L-leucyl-N~4~-Hydroxy-N~1~-[(2S)-1-hydroxy-1-{[(2S)-1-hydroxy-1-imino-3-phenylpropan-2-yl]imino}-4-methylpentan-2-yl]-2-(2-methylpropyl)butanediimidic acid
Database identifiers
- CAS
106314-87-8- PubChem CID
- 129255
- DTXSID
DTXSID40909982- Nikkaji
- J482.624H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 632
Physicochemical properties
- Density
- 1.157 · 1.157±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.168 · 9.168±0.20(predicted)
Chemistry & industry
Applications
DescriptionU 27391 inhibits the action of human recombinant interleukin-1beta and glycosaminoglycan synthesis. U 27391 is a metalloproteinase inhibitor.
UsesU27391 is a metalloproteinase inhibitor. U27391 inhibits rhIL-1β Induced proteoglycan loss[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…