Basic information
- CAS
141579-67-1- Standard SMILES
CC(C#Cc1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O- InChIKey
OLZHFFKRBCZHHT-UHFFFAOYSA-N- Molecular formula
- C15H13FN2O4
- Average molar mass
- 304.27 g/mol
- Monoisotopic mass
- 304.08593506
Overview
a 5-lipoxygenase inhibitor
Names & identifiers
- Preferred name
- N-(3-(5-(4-Fluorophenoxy)-2-furanyl)-1-methyl-2-propyn-1-yl)-N-hydroxyurea
- IUPAC
- 1-[4-[5-(4-fluorophenoxy)furan-2-yl]but-3-yn-2-yl]-1-hydroxyurea
- English name
- A 78773
- Molecular formula
- C15H13FN2O4
- Molecular weight
- 304.276
Names & synonyms
141579-67-1A 78773N-Hydroxy-N-(4-(5-(4-fluorophenoxy)-2-furyl)-3-butyn-2-yl)ureaUrea, N-(3-(5-(4-fluorophenoxy)-2-furanyl)-1-methyl-2-propynyl)-N-hydroxy-RefChem:926755N-(3-(5-(4-Fluorophenoxy)-2-furanyl)-1-methyl-2-propyn-1-yl)-N-hydroxyureaA-787731-[4-[5-(4-fluorophenoxy)furan-2-yl]but-3-yn-2-yl]-1-hydroxyureaCHEMBL59598CCRIS 8531N-(3-(5-(4-Fluorophenoxy)-2-furanyl)-1-methyl-2-propynyl)-N-hydroxyureaOprea1_560784
Show more names
orb1701357SCHEMBL1807930DTXSID90931132BDBM50029775AKOS000280128AKOS040747676HY-120606T26447
Database identifiers
- CAS
141579-67-1- PubChem CID
- 71460
- DTXSID
DTXSID90931132- ChEMBL
CHEMBL59598
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
Chemistry & industry
Applications
DescriptionA 78773 is a potent, selective, direct, and reversible 5-lipoxygenase inhibitor. It has activity in a variety of purified cells and in more complex biological systems such as whole blood, lung fragments, and tracheal tissues. A 78773 acts against inflammation and allergy, edema, inflammatory cell influx, and bronchospasm. It may treat asthma and inflammatory bowel disease.
UsesA-78773 is a 5-lipoxygenase inhibitor. A-78773 can inhibit the formation of LTB4 in human whole blood and human neutrophils, with IC50 values of 85 nM and 20 nM, respectively. A-78773 can be used in the study of inflammation-related diseases[1].
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [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
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Compound notes
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