기본 정보
- CAS
118876-58-7- 표준 SMILES
NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1[nH]c(=O)c(=O)[nH]c12- InChIKey
UQNAFPHGVPVTAL-UHFFFAOYSA-N- 분자식
- C12H8N4O6S
- 평균 분자량
- 336.28 g/mol
- 단동위원소 질량
- 336.01645516
개요
2,3-Dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline is a member of naphthalenes and a sulfonic acid derivative.
이름 및 식별자
- 우선 이름
- 1,2,3,4-Tetrahydro-6-nitro-2,3-dioxobenzo(f)quinoxaline-7-sulfonamide
- IUPAC
- 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide
- 영어명
- NBQX DISODIUM SALT
- 분자식
- C12H8N4O6S
- 분자량
- 336.28
이름 및 동의어
nbqx118876-58-72,3-Dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxalineFG-92022,3-Dihydroxy-6-nitro-7-sulfamoyl-benzo(f)quinoxaline6-Nitro-7-sulfamoylbenzo(f)quinoxaline-2,3-dione8LZ6Q43V2S6-Nitro-7-sulfamoylbenzo[f]quinoxaline-2,3-DioneDTXSID601522561,2,3,4-tetrahydro-6-nitro-2,3-dioxobenzo[f]quinoxaline-7-sulfonamideBenzo(f)quinoxaline-7-sulfonamide, 1,2,3,4-tetrahydro-6-nitro-2,3-dioxo-6-nitro-2,3-dioxo-1H,2H,3H,4H-benzo[f]quinoxaline-7-sulfonamide
이름 더 보기
NBQX DISODIUMNBQX NEWNBQX HYDRATENBQX (FG9202)FG 9202 DISODIUMDihydroxyquinoneNBQX DISODIUM SALTNBQX, 10 mM in DMSO
2,3-Dioxo-6-nitro-7-sulfamoylbenzo[f]quinoxaline6-nitro-2,3-dioxo-1H,2H,3H,4H-benzo(f)quinoxaline-7-sulfonamide1,2,3,4-Tetrahydro-6-nitro-2,3-dioxobenzo(f)quinoxaline-7-sulfonamideBenzo[f]quinoxaline-7-sulfonamide, 1,2,3,4-tetrahydro-6-nitro-2,3-dioxo-RefChem:442573DTXCID7074747FG 92026-nitro-2,3-dioxo-1,2,3,4-tetrahydrobenzo[f]quinoxaline-7-sulfonamide
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 173 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 653
실험 및 물리화학적 성질
LogP0.36
물리화학적 성질
- 녹는점
- 361 °C · 361°C
- 밀도
- 1.6027 · 1.6027 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 0.25 mg/mL · 메탄올: 0.25mg/mL
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 7.55 · 7.55±0.20(Predicted)
- 색상
- 노란색
- 수용성
- 2 O: · H2O: >10mg/mL
- 안정성
- -20 °C는 · -20°C는 냉동고에서 비교적 안정적입니다.
- InChI
- InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)
- InChIKey
- UQNAFPHGVPVTAL-UHFFFAOYSA-N
- SMILES
- N1C2=C(C3=CC=CC(S(N)(=O)=O)=C3C([N+]([O-])=O)=C2)NC(=O)C1=O
화학적 성질
Yellow Crystalline Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs used to prevent SEIZURES or reduce their severity.
Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here.
Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.
응용 분야
용도NBQX disodium salt hydrate has been used:in N-methyl-D-aspartate receptor (NMDAR) kinetic studiesas an α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptor antagonist for the electrophysiological studies cultured neuronsin the extracellular solution for current/voltage (I/V) relationship and rectification index experiments in excitatory postsynaptic currents (EPSCs) mediated by NMDA receptors (EPSCNMDAR)
일반 설명NBQX [2,3-dihydroxy-6-nitro-7-sulphamoyl-benzo(F)quinoxaline] is a competitive antagonist, which shows high affinity to 2-amino-3-hydroxy-5-methyl-4-isoxazol propionic acid (AMPA) receptor than kainite receptor.
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