Abbott-79175
Basic information
- CAS
141579-87-5- Standard SMILES
C[C@H](C#Cc1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O- InChIKey
OLZHFFKRBCZHHT-SNVBAGLBSA-N- Molecular formula
- C15H13FN2O4
- Average molar mass
- 304.27 g/mol
- Monoisotopic mass
- 304.08593506
Names & identifiers
- Preferred name
- Abbott-79175
- IUPAC
- 1-[(2R)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-yn-2-yl]-1-hydroxyurea
- English name
- Urea, N-[(1R)-3-[5-(4-fluorophenoxy)-2-furanyl]-1-methyl-2-propyn-1-yl]-N-hydroxy-
- Molecular formula
- C15H13FN2O4
- Molecular weight
- 304.27
Names & synonyms
Abbott 79175141579-87-5A-79175Abbott-79175A 7917525B75ID70WABBOTT-79175, (+)-RefChem:1992941-[(2R)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-yn-2-yl]-1-hydroxyureaCHEMBL90552A79175UNII-25B75ID70W
Show more names
Urea, N-[(1R)-3-[5-(4-fluorophenoxy)-2-furanyl]-1-methyl-2-propyn-1-yl]-N-hydroxy-
orb1701356SCHEMBL6438420BDBM50369068AKOS040747677Urea, N-(3-(5-(4-fluorophenoxy)-2-furanyl)-1-methyl-2-propynyl)-N-hydroxy-, (R)-HY-116164T26448N-((1R)-3-(5-(4-FLUOROPHENOXY)-2-FURANYL)-1-METHYL-2-PROPYN-1-YL)-N-HYDROXYUREA
Database identifiers
- CAS
141579-87-5- PubChem CID
- 178577
- ChEMBL
CHEMBL90552- UNII
- 25B75ID70W
- Nikkaji
- J670.656H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- Boiling point
- 472.9 · 472.9±55.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 9.66 · 9.66±0.50(Predicted)
- FDA UNII
- 25 B75ID70W · 25B75ID70W
Chemistry & industry
Applications
UsesA-79175 is a potent 5-lipoxygenase inhibitor that inhibits leukotriene formation. A-79175 is promising for research of various allergic and inflammatory diseases including asthma, allergic rhinitis, rheumatoid arthritis and inflammatory bowel disease[1].
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Compound notes
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