Biotin anandamide
Basic information
- CAS
956605-71-3- Standard SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21- InChIKey
OWGIWGPEYRGLKI-CJBBQPGESA-N- Molecular formula
- C36H60N4O5S
- Average molar mass
- 661 g/mol
Names & identifiers
- Preferred name
- Biotin anandamide
- IUPAC
- (5Z,8Z,11Z,14Z)-N-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide
- English name
- MM-22
- Molecular formula
- C36H60N4O5S
- Molecular weight
- 660.95
Names & synonyms
956605-71-3b-AEAMM-22(5Z,8Z,11Z,14Z)-N-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamideBiotin anandamide(3aS,4S,6aR)-Hexahydro-2-oxo-N-[2-[2-[2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]amino]ethoxy]ethoxy]ethyl]-1H-thieno[3,4-d]imidazole-4-pentanamideorb1704354SCHEMBL29407216AKOS024457976MS-32983CS-0027661T23006
Show more names
MM22,MM 221H-Thieno[3,4-d]imidazole-4-pentanamide, hexahydro-2-oxo-N-[2-[2-[2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]amino]ethoxy]ethoxy]ethyl]-, (3aS,4S,6aR)-
(1Z,5Z,8Z,11Z,14Z)-N-(2-(2-(2-((Z)-(1-hydroxy-5-((3aR,6S,6aS)-2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentylidene)amino)ethoxy)ethoxy)ethyl)icosa-5,8,11,14-tetraenimidic acid(5Z,8Z,11Z,14Z)-N-(2-(2-(2-(5-((3AS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)ethoxy)ethoxy)ethyl)icosa-5,8,11,14-tetraenamide
Database identifiers
- CAS
956605-71-3- Nikkaji
- J2.597.935D
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 28
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 955
Physicochemical properties
- Boiling point
- 870.6 · 870.6±65.0 °C(Predicted)
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 100 mM · Soluble to 100 mM in DMSO and to 50 mM in ethanol
- form
- Powder
- pka
- 13.9 · 13.90±0.40(Predicted)
Chemistry & industry
Applications
UsesMM-22 is a biotinylated anandamide analog; blocks anandamide uptake modulating the endocrine and neuroendocrine system.
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Compound notes
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