S-1 Methanandamide
Basic information
- CAS
157182-50-8- Standard SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)CO- InChIKey
SQKRUBZPTNJQEM-AQNSPSBUSA-N- Molecular formula
- C23H39NO2
- Average molar mass
- 361.6 g/mol
- Monoisotopic mass
- 361.29807949
Overview
S-1 methanandamide is a carboximidic acid.
Names & identifiers
- Preferred name
- S-1 Methanandamide
- IUPAC
- (5Z,8Z,11Z,14Z)-N-[(2S)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide
- English name
- S-1 Methanandamide
- Molecular formula
- C23H39NO2
- Molecular weight
- 361.56
Names & synonyms
S-1 Methanandamide(5Z,8Z,11Z,14Z)-N-[(2S)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide157182-50-8CHEMBL348466CHEBI:191165SQKRUBZPTNJQEM-AQNSPSBUSA-NDTXSID101370209HMS3649D11BDBM50072768MFCD00674437AKOS040744990CS-0093850
Show more names
S(-)-METHANANDAMIDES-1 Methanandamide ExclusiveS(-)-ARACHIDONYL-1'-HYDROXY-2'-PROPYLAMIDE(S)-(-)-ARACHIDONOYL-1'-HYDROXY-2'-PROPYLAMIDE5,8,11,14-Eicosatetraenamide, N-[(1S)-2-hydroxy-1-methylethyl]-, (5Z,8Z,11Z,14Z)-
(S)-(?)-Arachidonyl-1'-Hydroxy-2'-PropylamideSR-01000946644SR-01000946644-1N-(2-Hydroxy-1S-methylethyl)-5Z,8Z,11Z,14Z-eicosatetraenamide(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((S)-2-hydroxy-1-methyl-ethyl)-amide(5Z,8Z,11Z,14Z)-N-[(1S)-2-hydroxy-1-methyl-ethyl]icosa-5,8,11,14-tetraenamide
Database identifiers
- CAS
157182-50-8- PubChem CID
- 5283423
- DTXSID
DTXSID101370209- ChEMBL
CHEMBL348466
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Boiling point
- 529 · 529.0±50.0 °C(Predicted)
- Density
- 0.935 · 0.935±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO;dimethyl formamide;acetonitril
- form
- solution in ethanol.
- pka
- 14.51 · 14.51±0.10(Predicted)
- color
- Colorless to light yellow
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H319
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H319
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Applications
UsesS-1 Methanandamide ((S)-Methanandamide), an Anandamide analog, is a CB1 receptor ligand with a Ki of 173 nM. S-1 Methanandamide inhibits electrically-evoked twitch response in mouse vas deferens with an IC50 value of 230 nM[1].
Additional notes
DefinitionChEBI: S-1 methanandamide is a carboximidic acid.
Suppliers
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Compound notes
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