Kynurenic Acid
Grundinformationen
- CAS
13593-94-7- Standard-SMILES
O=C(O)c1cc(=O)c2ccccc2[nH]1- InChIKey
HCZHHEIFKROPDY-UHFFFAOYSA-N- Summenformel
- C10H7NO3
- Durchschnittliche Molmasse
- 189,17 g/mol
- Monoisotopische Masse
- 189,04259309
Namen und Bezeichner
- Bevorzugter Name
- Kynurenic Acid
- IUPAC
- 4-oxo-1H-quinoline-2-carboxylic acid
- Englischer Name
- 1,4-DIHYDRO-4-OXOQUINOLINE-2-CARBOXYLIC ACID
- Summenformel
- C10H7NO3
- Molmasse
- 189.17
Namen und Synonyme
kynurenic acid492-27-34-Hydroxyquinoline-2-carboxylic acidKinurenic acidKynuronic acidQuinurenic acid4-Hydroxyquinaldic acid2-Quinolinecarboxylic acid, 4-hydroxy-4-Hydroxy-2-quinolinecarboxylic acid4-Hydroxyquinaldinic acid4-oxo-1H-quinoline-2-carboxylic acidNSC-58973
Weitere Namen anzeigen
4-OXO-1,4-DIHYDROQUINOLINE-2-CARBOXYLIC ACIDKynurenateCCRIS 4428TranstorineQuinaldic acid, 4-hydroxy-Transtorine, 10 mM in DMSOQuinaldic acid, 4-hydroxy- (8CI)quinoline-4-one-2-carboxylic acid
CHEBI:18344H030S2S85JDTXSID8075417Acid, KynurenicRefChem:794384DTXCID5040675207-751-513593-94-7
Datenbank-Bezeichner
- CAS
13593-94-7、492-27-3- PubChem CID
- 3845
- DTXSID
DTXSID8075417- ChEMBL
CHEMBL299155- ChEBI
CHEBI:18344- UNII
- H030S2S85J
- EC Number
- 207-751-5、816-062-4
- Nikkaji
- J377.339F、J6.059C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 66,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 308
Experimentelle und physikochemische Eigenschaften
Solubility>28.4 [ug/mL] (The mean of the results at pH 7.4)
Melting Point280 °C
Physical Description
Yellow solid; [Merck Index] Yellow needles; [Alfa Aesar MSDS]
Solid
Collision Cross Section
151.1 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；136.7 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；133.9 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
137 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]；149.51 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
140.99 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]；137.3 Ų [M-H]- [CCS Type: DT; Method: stepped-field]；154.12 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
135.3 Ų [M-H]-；151.2 Ų [M+Na]+；136.6 Ų [M+H]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 123 °C · 123 °C
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information2-Quinolinecarboxylic acid, 4-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes anticonvulsant behavior in acute intracerebral and intraperitoneal studies of mice; Causes other degenerative changes of brain and coverings in acute intracerebral studies of rats; Causes analgesia in acute intraspinal studies of rats; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Quinoline.
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.4%)
Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Toxikologische Informationen
Chemie und Industrie
Pharmakologische Informationen
Metabolism/MetabolitesUremic toxins tend to accumulate in the blood either through dietary excess or through poor filtration by the kidneys. Most uremic toxins are metabolic waste products and are normally excreted in the urine or feces.
MeSH Pharmacological ClassificationDrugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.
Tissue LocationsBrain；Epidermis；Fibroblasts；Placenta；Prostate
Cellular LocationsCytoplasm
Metabolite PathwaysTryptophan metabolism
Verwendung und Herstellung
Uses
A metabolite of tryptophan found in the urine of some animals; Used in nutritional studies of vitamin B deficiency; [Merck Index] A broad-spectrum excitatory amino acid antagonist used as a research tool. [ChemIDplus]
Naturally produced by the body (endogenous).
Anbieter64 Anbieter
上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
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