암포네산
암포네산 · NCA · Amfonelic · 7-Benzyl-1-ethyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid · CEAL · WIN-25978 · NSC-100638 · Amphonic acid
식별자 및 물리적 특성
| CAS No. | 15180-02-6 |
|---|---|
| 분자식 | C18H16N2O3 |
| 평균 분자량 | 308.3 g/mol |
| 단동위원소 질량 | 308.11609238 g/mol |
| SMILES | CCn1cc(C(=O)O)c(=O)c2ccc(Cc3ccccc3)nc21 |
| InChIKey | WHHHJDGNBVQNAU-UHFFFAOYSA-N |
| PubChem CID | 2137 |
| ChEMBL | CHEMBL35337 |
| EC No. | 878-363-7 |
| DTXSID | DTXSID40164877 |
| 현지명 | 암포네산 |
화학 및 물리적 성질
| XLogP | 3 |
|---|---|
| 극성 표면적 | 70.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 23 |
| 형식 전하 | 0 |
| 복잡도 | 496 |
| 녹는점 | >1000 °C |
| 끓는 점 | 499℃ |
| 밀도 | 1.297 |
| 인화점 | 256℃ |
| 용해도 | 0.1M NaOH: 가용성 |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 3.50±0.20(Predicted) |
| 색상 | 노란색 |
| InChI | InChI=1S/C18H16N2O3/c1-2-20-11-15(18(22)23)16(21)14-9-8-13(19-17(14)20)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,22,23) |
| InChIKey | WHHHJDGNBVQNAU-UHFFFAOYSA-N |
| SMILES | N1(CC)C2C(=CC=C(CC3=CC=CC=C3)N=2)C(=O)C(C(O)=O)=C1 |
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 2933.99.8290 |
| 위험 문구(R) | 40-43 |
| 위험 표시 | Xn |
| 안전 문구(S) | 36/37 |
용도
개요
Amfonelic acid, a derivative of nalidixic acid, was originally developed as a central nervous system stimulant. It is a highly potent nonamphetamine stimulant whose actions are inhibited by reserpine but not by the tyrosine hydroxylase inhibitor, a-methyltyrosine. Additionally, it enhances the impacts of antipsychotic medicines such as haloperidol, trifluoperazine, and spiperone.
용도
Amfonelic acid (AFA) is a dopamine reuptake inhibitor, that has marked effects on brain dopamine metabolism but not noradrenaline metabolism. Experiments on rats have shown that AFA treatment completely prevented the effects of methamphetamine on the dopaminergic system, both morphologically and biochemically. Rats are shown to self-administer amfonelic acid in a dose-dependent manner.