Basic information
- CAS
91541-18-3- Standard SMILES
CCCc1c(OCCCS(=O)(=O)c2ccc(C(=O)CCC(=O)O)cc2)ccc(C(C)=O)c1O- InChIKey
ZAKKEARLDPTRLX-UHFFFAOYSA-N- Molecular formula
- C24H28O8S
- Average molar mass
- 476.5 g/mol
- Monoisotopic mass
- 476.15048886
Overview
antagonist of leukotriene D4 receptor; structure in first source
Names & identifiers
- Preferred name
- L 648051
- IUPAC
- 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-oxobutanoic acid
- English name
- L 648051
- Molecular formula
- C24H28O8S
- Molecular weight
- 476.53932
Names & synonyms
91541-18-3L 648051L-6480514-Apsob0LGZ40MB454-((3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propyl)sulfonyl)-gamma-oxobenzenebutanoic acidDTXSID50238619Benzenebutanoic acid, 4-((3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl)sulfonyl)-gamma-oxo-RefChem:151647DTXCID501611104-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-oxobutanoic acid4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl)-gamma-oxo-benzenebutanoic acid
Show more names
L480514-[[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propyl]sulfonyl]-γ-oxobenzenebutanoic acid
UNII-0LGZ40MB45SCHEMBL157166CHEMBL282253orb1703236ZAKKEARLDPTRLX-UHFFFAOYSA-NAKOS0305307314-(4-((3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propyl)sulfonyl)phenyl)-4-oxobutanoic acidHY-122149
Database identifiers
- CAS
91541-18-3- PubChem CID
- 122010
- DTXSID
DTXSID50238619- ChEMBL
CHEMBL282253- UNII
- 0LGZ40MB45
- Nikkaji
- J326.097F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 764
Physicochemical properties
- FDA UNII
- 0 LGZ40MB45 · 0LGZ40MB45
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationA class of drugs designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level.
Applications
UsesL-648051 is a leukotriene D4 receptor (LTD4) antagonist. L-648051 plays an important role in arrhythmias[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
1 records
Compound notes
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