| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 14 | Yes |
Popular Name: KYNURENIC ACID KYNURENIC ACID
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13593-94-7 , 345909-35-5 , 492-27-3 , [492-27-3]
1,4-Dihydro-4-oxoquinoline-2-carboxylic acid
1,4-DIHYDRO-4-OXOQUINOLINE-2-CARBOXYLICACID
2-quinolinecarboxylic acid, 4-hydroxy-
4-HYDROXQUINOLINE-2-CARBOXYLIC ACID/KYNURENIC ACID
4-Hydroxy-2-chinolincarbonsaeure; 4-hydroxyquinaldic acid; 4-hydroxyquinaldinic acid; Kynurensaeure
4-Hydroxy-2-quinolincarboxylic acid
4-Hydroxy-2-quinolincarboxylicacid
4-Hydroxy-2-quinolinecarboxylic acid; 492-27-3; C01717; Kynurenate; Kynurenic acid
4-Hydroxyquinoline-2-carboxylic acid
4-Hydroxyquinoline-2-carboxylic acid hydrate
4-Hydroxyquinoline-2-carboxylic acid hydrate, 98%
4-Hydroxyquinoline-2-carboxylic acid, hydrate, 98%
4-Oxo-1,4-dihydro-quinoline-2-carboxylic acid
4-oxo-1,4-dihydroquinoline-2-carboxylic acid
492-27-3; kynurenate; kynurenic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.68 | 4.85 | -44.95 | 1 | 4 | -1 | 73 | 188.162 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 248 - 252 | Enamine Building Blocks |
| MP | 249 - 251 | Enamine Building Blocks |
| MP | 249...251 | Enamine Building Blocks |
| Mp [°C] | 275 | Acros Organics |
| MP | 280 - 282 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| UniProt Database Links | AATM_BOVIN; AATM_CHICK; AATM_HORSE; AATM_HUMAN; AATM_MACFA; AATM_MOUSE; AATM_PIG; AATM_PONAB; AATM_RABIT; AATM_RAT; AATM_XENTR; GPR35_HUMAN; GPR35_MOUSE; KMO_HUMAN; KMO_RAT | ChEBI |
| Melting_Point | ca 275? dec. | Alfa-Aesar |
| Melting_Point | ca 275° dec. | Alfa-Aesar |
| Patent Database Links | EP1649857; EP1902733; EP1903028; US2007197511; US2007207968; US2007224165; US2007244039; US2008076796; WO2005123067 | ChEBI |
| Therapy | Excitatory amino acid receptor antagonist; blocks kainic acid-induced neurotoxicity; metabolite of tryptophan | SMDC MicroSource |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Reactome Database Links | REACT_25044; REACT_25181 | ChEBI |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMDZ1-1-E | Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 5400 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMDZ1_RAT | P35439 | Glutamate (NMDA) Receptor Subunit Zeta 1, Rat | 5400 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Tryptophan catabolism |
| Description | Species |
|---|---|
| CREB phosphorylation through the activation of CaMKII | |
| EPHB-mediated forward signaling | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| Unblocking of NMDA receptor, glutamate binding and activation |
No pre-computed analogs available. Try a structural similarity search.