2,2'-디티오비스(에틸아민)

Cystamine

HCID 2915CAS 51-85-4

기본 정보

표준 SMILES: NCCSSCCN
InChIKey: APQPRKLAWCIJEK-UHFFFAOYSA-N
분자식: C4H12N2S2
평균 분자량: 152.3 g/mol
단동위원소 질량: 152.04419038

개요

Cystamine is an organic disulfide obtgained by oxidative dimerisation of cysteamine. It has a role as an EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor. It is an organic disulfide and a primary amino compound. It is functionally related to a cysteamine.

이름 및 식별자

우선 이름: Cystamine
IUPAC: 2-(2-aminoethyldisulfanyl)ethanamine
현지명: 2,2'-디티오비스(에틸아민)
영어명: 2,2'-dithiobis(ethylamine)
분자식: C4H12N2S2
분자량: 152.28

이름 및 동의어

cystamine51-85-4Decarboxycystine2,2'-Dithiobis(ethylamine)CystineamineCystinaminMercamine disulfideCysteinamine disulfideEthanamine, 2,2'-dithiobis-Becaptan disulfureBis(beta-aminoethyl)disulfide2,2'-Dithiobisethanamine

이름 더 보기

2,2'-디티오비스(에틸아민)2,2'-disulfanediyldiethanamineL-1591Cystinamine2,2'-Dithiodiethylamine2,2-DIAMINODIETHYLDISULPHIDE

beta-Mercaptoethylamine disulfidebeta,beta'-Diaminodiethyl disulfide1591 LR110LV8L02CHEBI:78757DTXSID601990052-(2-aminoethyldisulfanyl)ethylamine2,2'-Dithiobis[ethylamine]

데이터베이스 식별자

CAS: 51-85-4
PubChem CID: 2915
DTXSID: DTXSID60199005
ChEMBL: CHEMBL61350
ChEBI: CHEBI:78757
UNII: R110LV8L02
EC Number: 200-129-4
Nikkaji: J4.128I

물성

구조 계산 물성

XLogP: -1
극성 표면적: 103 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 8
형식 전하: 0
복잡도: 37

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Sulfur Compounds

Physical DescriptionViscous liquid; [Merck Index]

물리화학적 성질

녹는점: 135 · 135-136 °C
끓는 점: 106 · 106-108 °C(Press: 5 Torr)
밀도: 1.09 · 1.090 (estimate)
굴절률: 1.5605 · 1.5605 (estimate)
저장 조건: -20 °C · Storage temp. -20°C
용해도: Soluble in Water, DMSO, DMF, Methanol
물리적 상태: Liquid
산도 계수 (pKa): 8.97 · 8.97±0.10(Predicted)
색상: Light yellow to brown

안전 및 규제

유해성 정보

Hazards SummaryCauses general anesthesia, elevated blood pressure, convulsions, and lung changes in subcutaneous lethal-dose studies of mammals; [RTECS] See Cystamine dihydrochloride.

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 3건

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military.

Chemical 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.