기본 정보
- 표준 SMILES
COS(=O)(=O)[O-].C[n+]1c2ccccc2nc2ccccc21- InChIKey
RXGJTUSBYWCRBK-UHFFFAOYSA-M- 분자식
- C14H14N2O4S
- 평균 분자량
- 306.34 g/mol
- 단동위원소 질량
- 306.06742793
개요
5-methylphenazinium methyl sulfate is an azaheterocycle sulfate salt and a member of phenazines.
이름 및 식별자
- 우선 이름
- Phenazine Methosulfate
- IUPAC
- 5-methylphenazin-5-ium;methyl sulfate
- 영어명
- Phenazine methosulfate
- 분자식
- C14H14N2O4S
- 분자량
- 306.34
이름 및 동의어
Phenazine methosulfate299-11-65-Methylphenazinium methyl sulfateN-Methylphenazonium methosulfatePhenazine methosulphateMethylphenazonium methosulfate5-Methylphenazine methylsulfateN-Methylphenazinium methosulfateN-Methylphenazonium methosulphatePMS (pharmaceutical)Phenazinium, 5-methyl-, methyl sulfate5-Methyl phenazine, methyl sulfate salt
이름 더 보기
PMSPHENAZINE METHYL SULFATEPhenazine methosuL5-MethylphenaziniumPhenazine methosulfaPhezine methosulfatePhenazine MethoshlphatePHENAZINE METHOLSULPHATE
J3GYQ3401YDTXSID1059783NSC-34661CHEBI:8055Methosulfate, PhenazineMethosulfate, Methylphenazonium5 Methylphenazinium Methyl SulfateMethyl Sulfate, 5-Methylphenazinium
데이터베이스 식별자
- CAS
299-11-6- PubChem CID
- 9285
- DTXSID
DTXSID1059783- ChEBI
CHEBI:8055- UNII
- J3GYQ3401Y
- EC Number
- 206-072-1
물성
구조 계산 물성
- 극성 표면적
- 91.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 297
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physical DescriptionYellow to brown solid; [Merck Index] Yellow crystalline solid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 158 · 158-160 °C (dec.)(lit.)
- 밀도
- 1.3395 · 1.3395 (rough estimate)
- 굴절률
- 1.693 · 1.6930 (estimate)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 2 O: · H2O: 20 °C에서 0.2 g/mL, 투명, 진한 주황색
- 물리적 상태
- 결정성 분말
- 색상
- 진한 노란색에서 갈색 또는 카키색
- 수용성
- soluble in water (approximately 200 mg/ml).
- Merck
- 14 · 14,6109
- BRN
- 3898869 · 3898869
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- InChI
- InChI=1S/C13H11N2.CH4O4S/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1
- InChIKey
- RXGJTUSBYWCRBK-UHFFFAOYSA-M
- SMILES
- C12C=CC=CC1=NC1=CC=CC=C1[N+]=2C.S([O-])(=O)(=O)OC
- EPA
- 5 · Phenazinium, 5-methyl-, methyl sulfate (299-11-6)
화학적 성질
orange to light brown crystals or powder
안전 및 규제
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 47 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationPhenazinium, 5-methyl-, methyl sulfate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA moderate irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SG1645000
- ridadr
- 2811
- HS 번호
- 29339900
- risk_code
- 36/37/38-68-46
- hazard_code
- Xi,Xn,T
- safety_code
- 26-36/37/39-53-45
- F 고인화성물질
- 8
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
UsesUsed as an electron carrier and to make succinic dehydrogenase; [Merck Index]
General Manufacturing InformationPhenazinium, 5-methyl-, methyl sulfate (1:1): INACTIVE
응용 분야
개요Phenazine is a free radical generator. It has been used as an electron transfer reactant in cell viability assays. Phenazine (10 μM) induces ssDNA break formation in the presence of the reducing agent NADPH in a cell-free plasmid cleavage assay when used at a concentration of 10 μM. It induces oxidative DNA damage in an alkaline comet assay and apoptosis in A375 melanoma cells when used at a concentration of 10 μM. Phenazine (20 nM) oxidizes cysteine-containing proteins in HepG2 cells.
용도Phenazine Methosulfate is used in tyrosine transaminase test and for enzymic determination of ethanol in blood by the colorimetric micromethod. Used with ascorbic acid to determine nitric oxide reductase activity. Since the reduced PMS is easily oxidized by oxygen, it is used in assays as an electron carrier between enzymes and oxygen, cytochrome c, indophenols, or tetrazolium salts. The reduced PMS is used as an electron donor to reduce cytochrome c or in photosynthetic experiments. Usage of PMS for detection of specific dehydrogenases has been reported.
일반 설명Phenazines are heterocyclic compounds produced as secondary metabolites by bacteria.
상·하류 제품 정보
상류 원료
공급사50 곳
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추가 설명
정의ChEBI: 5-methylphenazinium methyl sulfate is an azaheterocycle sulfate salt and a member of phenazines. It is used as an electron carrier in place of the flavine enzyme of Warburg in the hexosemonophosphate system and also in the preparation of succinic dehydrogenase. Green et al., J. Biol. Chem. 217, 551 (1955).
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