옥시다이즈드글루타티온

Glutathione Disulfide

HCID 65359

기본 정보

CAS: 27025-41-8
표준 SMILES: N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O
InChIKey: YPZRWBKMTBYPTK-BJDJZHNGSA-N
분자식: C20H32N6O12S2
평균 분자량: 612.6 g/mol
단동위원소 질량: 612.15196246

개요

Glutathione disulfide is a glutathione derivative and an organic disulfide. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a glutathione disulfide(2-).

이름 및 식별자

우선 이름: Glutathione Disulfide
IUPAC: (2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
현지명: 옥시다이즈드글루타티온
영어명: L-Glutathione
분자식: C20H32N6O12S2
분자량: 612.63

이름 및 동의어

glutathione disulfideGSSGGlutathione disulphideOxigluthioneGlutathone disulfideOxiglutationaOxiglutationumBis(gamma-glutamyl-L-cysteinylglycine) disulfideULW86O013HDisulfide, GlutathioneRefChem:570552-amino-4-((2-((2-(4-amino-4-carboxybutanamido)-2-((carboxymethyl)carbamoyl)ethyl)disulfanyl)-1-((carboxymethyl)carbamoyl)ethyl)carbamoyl)butanoic acid

이름 더 보기

옥시다이즈드글루타티온L(-)-글루타티온L-GLUTATHIONE OXIDIZEDL-GLUTATHIONE OXIDISEDoxidizedglutathioneoxidised glutathioneGSSCNOV-002Glutathiol

oxiglutatione27025-41-8Glutathione-ssgOxiglutatione [INN]Bi(glutathion-S-yl)Oxiglutationum [INN-Latin]Oxiglutationa [INN-Spanish]CCRIS 780

데이터베이스 식별자

CAS: 27025-41-8
PubChem CID: 65359
DTXSID: DTXSID5048972
ChEMBL: CHEMBL1372
ChEBI: CHEBI:17858
UNII: ULW86O013H
EC Number: 248-170-7
Nikkaji: J415.688I

물성

구조 계산 물성

XLogP: -9.1
극성 표면적: 368 Å²
수소 결합 공여자 수: 10
수소 결합 수용자 수: 16
회전 가능 결합 수: 21
무거운 원자 수: 40
형식 전하: 0
복잡도: 879

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

DrugsPharmaceuticals -> Listed in ZINC15

Human Drugs · 5건

FDA approved drugs -> Active ingredient

Physical Description · 2건

Solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]

Solid

Collision Cross Section · 2건

227 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine]

224.7 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

물리화학적 성질

녹는점: 178 °C · 178 °C (dec.)(lit.)
밀도: 1.3688 · 1.3688 (rough estimate)
굴절률: -105 ° · -105 ° (C=2, H2O)
저장 조건: 2 · 2-8°C
용해도: 2 O: · H2O: 용해성
물리적 상태: 가루
산도 계수 (pKa): 2.12 · 2.12, 3.59, 8.75, 9.65(at 25℃)
색상: 흰색에서 황백색까지
생물학적 소스: synthetic
수용성: 녹는
Merck: 13 · 13,4488
BRN: 1718700 · 1718700
안정성: 안정적인. 강한 산화제와 호환되지 않습니다.
화장품 원료 기능: 피부 컨디셔닝피부 컨디셔닝 - 보습제
InChIKey: YPZRWBKMTBYPTK-USZNOCQGSA-N
SMILES: N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O
EPA: Oxiglutatione (27025-41-8)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 75% (6 of 8) of all reports.

Warning

H315 (25%): 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 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationGlycine, L-.gamma.-glutamyl-L-cysteinyl-, bimol. (2â2')-disulfide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (25%)

안전 데이터

wgk: 2
rtecs: MC0556500
독성: mouse,LD50,intravenous,> 2gm/kg (2000mg/kg),Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 6793, 1989.
HS 번호: 29309090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25-36/37/39-27-37/39
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Tissue LocationsBrain

Cellular LocationsExtracellular

Metabolite Pathways2-Hydroxyglutric Aciduria (D And L Form)

용도 및 제조

UsesA GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized. [ChemIDplus]

응용 분야 · 1건

개요L-Glutathione oxidized(GSSG) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of it. It can be used for the research of sickle cells and erythrocytes. The ratio of glutathione (GSH) to oxidised glutathione (GSSG) is a key indicator of cellular oxidative stress. It can be used in the clinical diagnosis and treatment of leukaemia by detecting the level of cellular GSH/GSSG in acute myeloid leukaemia (AML), which is characterised by oxidative stress leading to abnormally low levels of oxidised glutathione, with real-time, dynamic and highly sensitive characteristics[1].

상·하류 제품 정보

하류 제품

글루타티온술폰산 노로프탈람산

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

화합물 노트

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 27025-41-8
표준 SMILES: N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O
InChIKey: YPZRWBKMTBYPTK-BJDJZHNGSA-N
분자식: C20H32N6O12S2
평균 분자량: 612.6 g/mol
단동위원소 질량: 612.15196246

개요