기본 정보
- CAS
15658-35-2- 표준 SMILES
O=C(O)c1ccc(SSc2ccc(C(=O)O)cn2)nc1- InChIKey
GSASOFRDSIKDSN-UHFFFAOYSA-N- 분자식
- C12H8N2O4S2
- 평균 분자량
- 308.3 g/mol
- 단동위원소 질량
- 307.99254909
개요
RN given refers to parent cpd; structure
이름 및 식별자
- 우선 이름
- 6,6'-Dithiodinicotinic acid
- IUPAC
- 6-[(5-carboxy-2-pyridinyl)disulfanyl]pyridine-3-carboxylic acid
- 영어명
- 6,6'-Dithiodinicotinic acid
- 분자식
- C12H8N2O4S2
- 분자량
- 308.33
이름 및 동의어
6,6'-Dithiodinicotinic acid15658-35-2CPDSCarboxypyridine disulfide6,6'-Dithiobis-3-pyridinecarboxylic acidDTXSID40166098RefChem:103747DTXCID6088589239-729-66,6'-Disulfanediyldinicotinic acid6-[(5-carboxypyridin-2-yl)disulfanyl]pyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 6,6'-dithiobis-
이름 더 보기
CPDS, 10 mM in DMSO6,6′-Dithiodinicotiniccarboxypyridinedisulfide6,6’-dithionicotinicacid6,6'-Dithiobisnicotinic acid6,6'-DithiodinicotinicAcid>6,6''-DITHIODINICOTINIC ACID 97+%
6,6'-Dithionicotinic acidMFCD00006454Nicotinic acid, 6,6'-dithiodi-NSC1477586,6'-Dithiobis(3-pyridinecarboxylic Acid)6,6 inverted exclamation marka-Dithiodinicotinic acidNSC-1477586-[(5-carboxy-2-pyridyl)disulfanyl]pyridine-3-carboxylic acid
데이터베이스 식별자
- CAS
15658-35-2- PubChem CID
- 85040
- DTXSID
DTXSID40166098
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 151 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 335
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Pyridines
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 263 · 263-265 °C(lit.)
- 끓는 점
- 584.2 · 584.2±50.0 °C(Predicted)
- 밀도
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 2.82 · 2.82±0.10(Predicted)
- 색상
- 흰색에서 밝은 노란색
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C12H8N2O4S2/c15-11(16)7-1-3-9(13-5-7)19-20-10-4-2-8(6-14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)
- InChIKey
- GSASOFRDSIKDSN-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ccc(SSc2ccc(cn2)C(O)=O)nc1
화학적 성질
tan powder
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryIntraperitoneal LD50 (mouse) >900 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- rtecs
- US5684700
- HS 번호
- 2933399990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도6,6′-Dithiodinicotinic acid may be employed as:specific thiol blocker to investigate the radioprotective effect of mercaptoethylamine on the thiol level of the outer cell membrane of the Ehrlich ascites tumor cellsmodifier to investigate the polar microenvironment around the reactive Cys283 of rabbit muscle creatine kinasedipyridyl-dithio substrate to evaluate the protein disulfide-thiol interchange activity of the auxin stimulated NADH: protein disulfide reductase (NADH oxidase) of soybean plasma membraneswater-soluble reagent in a study for introducing, in buffered saline, a reactive sulfhydryl group on water-soluble molecules bearing an alkyl-amino groupchromogen for sulfhydryl groups in the Ellman method for cholinesterase determinationsspectrophotometric determination of thiols and of total glutathione in human blood
일반 설명6,6′-Dithiodinicotinic acid is reported as sulphydryl reagent. 6,6′-Dithiodinicotinic acid is reported to react with thiols, to afford a disulfide and 6-mercaptonicotinic acid. Interaction of 6,6′-dithiodinicotinic acid with the homogenates of Ehrlich ascites cells has been reported.
공급사44 곳
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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[email protected]
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