Grundinformationen
- Standard-SMILES
C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O- InChIKey
VLSMHEGGTFMBBZ-OOZYFLPDSA-N- Summenformel
- C10H15NO4
- Durchschnittliche Molmasse
- 213,23 g/mol
- Monoisotopische Masse
- 213,10010796
Überblick
Kainic acid is a dicarboxylic acid, a pyrrolidinecarboxylic acid, a non-proteinogenic L-alpha-amino acid and a L-proline derivative. It has a role as an antinematodal drug and an excitatory amino acid agonist. It is a conjugate acid of a kainate(1-).
Namen und Bezeichner
- Bevorzugter Name
- alpha-Kainic acid
- IUPAC
- (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
- Englischer Name
- KAINIC ACID
- Summenformel
- C10H15NO4
- Molmasse
- 213.23
Namen und Synonyme
kainic acid487-79-6DigeninDigenic acidHelminalL-alpha-Kainic acidalpha-Kainic acidAcide kainiqueAcido kainicoAcidum kainicumDTXSID7040526NSC136038
Weitere Namen anzeigen
KAINATE(-)-α-Kainic AcidKainicC12819(3aαKainicaci,4-beta))-
SIV03811UC2-Carboxy-4-isopropenyl-3-pyrrolidineacetic acidNSC-759587(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid(3S,4R)-3-(carboxymethyl)-4-(prop-1-en-2-yl)-L-prolineDTXCID5020526CHEBI:31746(2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid
Datenbank-Bezeichner
- CAS
487-79-6、59905-23-6、73209-05-9- PubChem CID
- 10255
- DTXSID
DTXSID7040526- ChEMBL
CHEMBL275040- ChEBI
CHEBI:31746- UNII
- SIV03811UC、WRW5P6M3EM
- Nikkaji
- J9.244D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,8
- Polarare Oberfläche (TPSA)
- 86,6 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 300
Experimentelle und physikochemische Eigenschaften
Collision Cross Section144.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 253 · 253-254 C
- Siedepunkt
- 353.22 °C · 353.22°C (rough estimate)
- Dichte
- 1.2177 · 1.2177 (rough estimate)
- Brechungsindex
- 1.4368 · 1.4368 (estimate)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- Löslichkeit
- 2 O: · H2O: soluble
- Aggregatzustand
- White to off-white solid.
- pka
- 2.03 · 2.03±0.60(Predicted)
- Farbe
- White
- Wasserlöslichkeit
- 25 mM · Soluble to 25 mM in water
- Stabilität
- 1 year · 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 · 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S,3S,4S)- (487-79-6)
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 3
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 22-24/25-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances used in the treatment or control of nematode infestations. They are used also in veterinary practice.
Drugs that bind to and activate excitatory amino acid receptors.
Anwendungen
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.
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