HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
alpha-Kainic acid
KAINATE · (-)-α-Kainic Acid · Kainic · C12819 · digenin · helminal · (3aαKainicaci · ,4-beta))-
Identifikatoren & physikalische Daten
| CAS No. | 487-79-6 |
|---|---|
| Summenformel | C10H15NO4 |
| Durchschnittliche Molmasse | 213,23 g/mol |
| Monoisotopische Masse | 213,10010796 g/mol |
| SMILES | C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O |
| InChIKey | VLSMHEGGTFMBBZ-OOZYFLPDSA-N |
| PubChem CID | 10255 |
| ChEMBL | CHEMBL275040 |
| ChEBI | CHEBI:31746 |
| DTXSID | DTXSID7040526 |
Chemische & physikalische Eigenschaften
| XLogP | -1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 86,6 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 300 |
| Collision Cross Section | 144.2 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 253-254 C |
| Siedepunkt | 353.22°C (rough estimate) |
| Dichte | 1.2177 (rough estimate) |
| Brechungsindex | 1.4368 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
| Löslichkeit | H2O: solubleSoluble to 25 mM in water |
| Aggregatzustand | White to off-white solid. |
| pKa (Säurekonstante) | 2.03±0.60(Predicted) |
| Farbe | White |
| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in distilled water may be stored at -20° for up to 3 months. |
| InChI | InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1 |
| InChIKey | VLSMHEGGTFMBBZ-OOZYFLPDSA-N |
| SMILES | N1C[C@H](C(C)=C)[C@H](CC(O)=O)[C@H]1C(O)=O |
| EPA chemische Informationen | 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S,3S,4S)- (487-79-6) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| R-Sätze (R) | 20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-24/25-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
(-)-α-Kainic Acid is a naturally occurring neuroexcitatory chemical that is an selective agonist for a subtype of ionotropic glutamate receptor. Administration of (-)-α-Kainic Acid has been shown to increase production of reactive oxygen species, mitochondrial dysfunction, and apoptosis in neurons in many regions of the brain, particularly in the hippocampal subregions and in the hilus of dentate gyrus.