Dithioerythritol (HCID 439352)

개요

Dithioerythritol is the meso-diastereomer of 1,4-dimercaptobutane-2,3-diol; a sulfur-containing sugar derived from the monosaccharide erythrose; and an epimer of dithiothreitol. It has a role as a reducing agent.

이름 및 식별자

우선 이름: Dithioerythritol
IUPAC: (2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol
영어명: Dithioerythritol
분자식: C4H10O2S2
분자량: 154.25

이름 및 동의어

Dithioerythritol6892-68-81,4-DithioerythritolDithioerythreitol(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL2,3-Butanediol, 1,4-dimercapto-, (2R,3S)-rel-(2R,3S)-1,4-disulfanylbutane-2,3-diolerythro-1,4-Dimercapto-2,3-butanediolR4SVL81GQIDTXSID40884341(2R*,3S*)-1,4-dimercapto-2,3-butanediol2,3-Butanediol, 1,4-dimercapto-, (R*,S*)-

이름 더 보기

Cleland's reagentCLELAND REAGENT1,4-DIMERCAPTO-2,3-BUTANEDIOLRHODOVIOL 25/140DL-DITHIOERYTHRITOLDTE, Reducing agent

CHEBI:17456RefChem:135200GlyTouCan:G15985JFDTXCID801023788G15985JF229-998-8DTE(2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol

데이터베이스 식별자

CAS: 6892-68-8
PubChem CID: 439352
DTXSID: DTXSID40884341
ChEMBL: CHEMBL1232391
ChEBI: CHEBI:17456
UNII: R4SVL81GQI
EC Number: 229-998-8
Nikkaji: J136.609B

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 52

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Monosaccharides and Derivatives

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionWhite powder; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 82 · 82-84 °C(lit.)
끓는 점: 247.65 °C · 247.65°C (rough estimate)
밀도: 1.156 · 1.156 (estimate)
굴절률: 1.52 · 1.5200 (estimate)
저장 조건: 2 · 2-8°C
용해도: 2 O: · H2O: 10 mg/mL, 투명, 무색
물리적 상태: 가루
산도 계수 (pKa): 1 · pK1:9.5 (25°C)
색상: 흰색에서 연한 노란색 또는 베이지색
수소이온지수(pH): 4 · 4.0-6.0 (25℃, 0.1M in H2O)
수용성: 녹는
BRN: 1719756 · 1719756
안정성: 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI: 1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+
InChIKey: VHJLVAABSRFDPM-ZXZARUISSA-N
SMILES: SC[C@H](O)[C@H](O)CS
EPA: 1 · 1,4-Dithioerythritol (6892-68-8)
Absorption: 0.4 at · ≤0.4 at 280 in H2O at 0.1M≤0.6 at 260 in H2O at 0.1M

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (98.1%): 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 54 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 2,3-Butanediol, 1,4-dimercapto-, (R*,S*)-

2,3-Butanediol, 1,4-dimercapto-, (2R,3S)-rel-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses convulsions in intramuscular lethal-dose studies of mice (LD50 = 309 mg/kg); [RTECS] A skin and strong eye irritant; May cause CNS depression; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (98.1%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

1.5 [mg/m3]

17 [mg/m3]

99 [mg/m3]

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: KF2410000
ridadr: UN 3335
HS 번호: 29309070
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
위험 등급: 9
F 고인화성물질: 3-10-13-23
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationChemical agents that react with SH groups. This is a chemically diverse group that is used for a variety of purposes. Among these are enzyme inhibition, enzyme reactivation or protection, and labelling.

용도 및 제조

UsesUsed as a reagent to prevent oxidation of sulfhydryl groups and to reduce disulfides to sulfhydryl groups; [ChemIDplus]

General Manufacturing Information2,3-Butanediol, 1,4-dimercapto-, (2R,3S)-rel-: ACTIVE

응용 분야

용도1,4-Dithioerythritol is a Michael reaction acceptor; inducers of enzymes that protect against carcinogenesis: reactivity with sulfhydryl groups.

공급사50 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]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

추가 설명

정의ChEBI: The meso-diastereomer of 1,4-dimercaptobutane-2,3-diol; a sulfur-containing sugar derived from the monosaccharide erythrose; and an epimer of dithiothreitol.