Leukotriene B4 dimethylamide
Basic information
- CAS
83024-92-4- Standard SMILES
CCCCC/C=C\C[C@H](O)/C=C/C=C\C=C\[C@H](O)CCCC(=O)N(C)C- InChIKey
BBJRTSLPWQUASB-DBBPNLNOSA-N- Molecular formula
- C22H37NO3
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.27734404
Overview
RN given refers to (S-(R*,S*-(E,Z,E,Z)))-isomer
Names & identifiers
- Preferred name
- Leukotriene B4 dimethylamide
- IUPAC
- (5R,6E,8Z,10E,12S,14Z)-5,12-dihydroxy-N,N-dimethylicosa-6,8,10,14-tetraenamide
- English name
- Leukotriene B4 dimethyl amide
- Molecular formula
- C22H37NO3
- Molecular weight
- 363.53
Names & synonyms
Ltb4DMALeukotriene B4 dimethylamide6,8,10,14-Eicosatetraenamide, 5,12-dihydroxy-N,N-dimethyl-, (S-(R*,S*-(E,Z,E,Z)))-RefChem:153150Leukotriene B4-dimethyl AmideLeukotriene B4 dimethyl amideN,N-DIMETHYL-5S, 12R-DIHYDROXY-6Z,8E,10E,14Z-EICOSATETRAENAMIDE(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N,N-dimethyl-icosa-6,8,10,14-tetraena(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N,N-dimethylicosa-6,8,10,14-tetraenamide6,8,10,14-Eicosatetraenamide,5,12-dihydroxy-N,N-dimethyl-, (5S,6Z,8E,10E,12R,14Z)-
Database identifiers
- CAS
83024-92-4- PubChem CID
- 6439635
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Boiling point
- 536.3 · 536.3±50.0 °C(Predicted)
- Density
- 0.992 · 0.992±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 50 mg/ml; · DMF: >50 mg/ml; DMSO: >50 mg/ml; Ethanol: >50 mg/ml; PBS pH 7.2: >1 mg/ml
- form
- Liquid.
- pka
- 13.82 · 13.82±0.20(Predicted)
Chemistry & industry
Applications
UsesLeukotriene B4-dimethyl Amide is a potent lipid mediator that acts as a Leukotriene B4 antagonist.
Additional notes
DefinitionChEBI: LTB4 dimethyl amide is a fatty amide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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