Dithioerythritol (HCID 439352)

概要

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.

名称と識別子

優先名称: Dithioerythritol
IUPAC: (2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol
現地名: ジチオエリトリトール
英語名: Dithioerythritol
分子式: C4H10O2S2
分子量: 154.25

名称と別名

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*)-

名称をさらに表示

ジチオエリトリトール(2R,3S)-2,3-ジヒドロキシ-1,4-ブタンジチオールクリーランド試薬(meso)(2R,3S)-1,4-ジメルカプトブタン-2,3-ジオールmeso-クリーランド試薬1,4-ジチオエリトリトール(2R,3S)-1,4-ジメルカプト-2,3-ブタンジオールジチオエリスリトールERYTHRO-1,4-ジメルカプト-2,3-ブタンジオール1,4-ジチオエリスリトールジチオエリスリトール, 結晶, 99+%1,4-ジチオエリスリトール, 99%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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.4
極性表面積: 42.5 Å²
水素結合供与体数: 4
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 52

実験および物理化学的性質

Chemical ClassesBiological Agents -> Monosaccharides and Derivatives

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionWhite powder; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 82 · 82-84 °C(lit.)
沸点: 247.65 °C · 247.65°C (rough estimate)
比重(密度): 1.156 · 1.156 (estimate)
屈折率: 1.52 · 1.5200 (estimate)
貯蔵温度: 2 · 2-8°C
溶解性: 2 O: · H2O: 10 mg/mL 無色透明
外見: 粉
酸解離定数(Pka): 1 · pK1:9.5 (25°C)
色: 白から淡い黄色またはベージュ
PH: 4 · 4.0-6.0 (25℃, 0.1M in H2O)
水溶解度: 溶ける
BRN: 1719756 · 1719756
安定性: 安定。可燃性。強力な酸化剤とは相容れない。
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
CAS データベース: 6892 · 6892-68-8(CAS DataBase Reference)
EPAの化学物質情報: 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

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

1.5 [mg/m3]

17 [mg/m3]

99 [mg/m3]

安全データ

F: 3-10-13-23
wgk: 3
tsca: TSCA listed
rtecs: KF2410000
ridadr: UN 3335
hs_code: 29309070
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
hazard_class: 9
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

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.

用途と製造

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

応用分野

使用1,4-Dithioerythritol is a Michael reaction acceptor; inducers of enzymes that protect against carcinogenesis: reactivity with sulfhydryl groups.

調製方法

純化方法Crystallise DTE from ether/hexane and store it in the dark at 0o. [Beilstein 1 III 2360.]

サプライヤー50 社

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]

補足説明

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