Quisqualic Acid
QUISQUALATE · Quisqualic acid · L-QUISQUALIC ACID · (+)-QuisqualicAci · Quisqualinic acid · ()-QUISQUALIC ACID · (+)-QUISQUALIC ACID · L(+)-QUISQUALIC ACID
식별자 및 물리적 특성
| CAS No. | 52809-07-1 |
|---|---|
| 분자식 | C5H7N3O5 |
| 평균 분자량 | 189.13 g/mol |
| 단동위원소 질량 | 189.03857032 g/mol |
| SMILES | N[C@@H](Cn1oc(=O)[nH]c1=O)C(=O)O |
| InChIKey | ASNFTDCKZKHJSW-REOHCLBHSA-N |
| PubChem CID | 40539 |
| ChEMBL | CHEMBL168279 |
| ChEBI | CHEBI:8734 |
| EC No. | 637-070-2 |
| DTXSID | DTXSID20896927 |
화학 및 물리적 성질
| XLogP | -3.9 |
|---|---|
| 극성 표면적 | 122 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 265 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| 녹는점 | 185-187°C dec. |
| 끓는 점 | 324.36°C (rough estimate) |
| 밀도 | 1.6649 (rough estimate) |
| 굴절률 | 1.6190 (estimate) |
| 저장 조건 | 2-8°C |
| 용해도 | NH4OH 1 M: 20 mg/mL, 투명, 무색 |
| pKa(산도 계수) | 2.12±0.10(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 황백색까지 |
| 용해도 | 에탄올, 물에 용해됩니다. 유기 용매에 불용성. |
| Merck | 13,8177 |
| BRN | 1078734 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| InChI | InChI=1/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/s3 |
| InChIKey | ASNFTDCKZKHJSW-NVFNTWQMNA-N |
| SMILES | N1(C[C@H](N)C(=O)O)OC(=O)NC1=O |&1:2,r| |
화학적 성질
Off-White Solid
안전 및 규제
| GHS 분류 | WarningH302+H312+H332 (41.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 68 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 위험 문구(R) | 20/21/22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36 |
| F 고인화성물질 | 10 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
L-Quisqualic acid is a natural analog of glutamate that acts as an agonist at AMPA-selective and metabotropic glutamate receptors (EC50s = 170, 10, 40, and 29 nM at GluR-A, mGluR1, mGluR3, and mGluR5, respectively), as well as the ionotropic kainate receptor (GRIK4; Ki = 6.43 nM). L-Quisqualic acid is used to study receptor dynamics and as an excitotoxin to selectively destroy neurons in the brain or spinal cord.
용도
Quisqualic acid is used to differentiate between mGluR-1 and mGluR-4. L-Quisqualic acid is an activator of GluR.
일반 설명
Quisqualate/ Quisqualic acid is obtained from the fruits and seeds of Quisqualis chinensis. It is an agonist at two subsets of excitatory amino acid receptors metabotropic receptors that indirectly mediate calcium mobilization from intracellular stores and, ionotropic receptors that directly control membrane channels. L-quisqualic acid is an agonist of the neurotransmitter L-glutamate.