CAS 18598-63-5 L-Cysteine, methyl ester, hydrochloride (HCID 2733208)

개요

Mecysteine hydrochloride is an alpha-amino acid ester.

이름 및 식별자

우선 이름: L-Cysteine, methyl ester, hydrochloride
IUPAC: methyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride
영어명: L-Cysteine methyl ester hydrochloride
분자식: C4H10ClNO2S
분자량: 171.65

이름 및 동의어

18598-63-5L-CYSTEINE METHYL ESTER HYDROCHLORIDEMecysteine hydrochlorideAcdrileActiolL-Cysteine, methyl ester, hydrochlorideL-Methylcysteine hydrochlorideMethyl L-cysteine hydrochlorideNSC-16161133RG619160METHYL (R)-2-AMINO-3-MERCAPTOPROPANOATE HYDROCHLORIDERefChem:810830

이름 더 보기

H-Cys-Ome(R)-Cysteine Methyl Ester HydrochlorideMethyl cysteinate hydrochlorideL-Cysteine Methyl ester hydrochloride 98%l.j.48zeotin

mecysteine hydrochloride, (L)-242-435-0Methyl L-cysteinate hydrochlorideH-Cys-OMe.HClH-Cys-OMe HClL-Cystein methyl ester hydrochlorideMFCD00038985DTXSID9046520

데이터베이스 식별자

CAS: 18598-63-5、871018-11-0
PubChem CID: 2733208
DTXSID: DTXSID9046520
ChEMBL: CHEMBL1426508、CHEMBL1490495
ChEBI: CHEBI:31806
UNII: 33RG619160
EC Number: 242-435-0

물성

구조 계산 물성

극성 표면적: 53.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 86.1

실험 및 물리화학적 성질

Solubility · 3건

Soluble

Soluble (in ethanol)

>25.7 [ug/mL] (The mean of the results at pH 7.4)

Physical DescriptionWhite powder; Sulfur-like odour

물리화학적 성질

녹는점: 142 °C · 142 °C (dec.)(lit.)
밀도: 1.232 · 1.232 (estimate)
FEMA: 4781 · 4781 | L-CYSTEINE METHYL ESTER HYDROCHLORIDE
굴절률: -2.5 ° · -2.5 ° (C=20, MeOH)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올, 물(약간 용해됨)
물리적 상태: 결정성 분말
색상: 하얀색
생물학적 소스: synthetic
수용성: 물에 용해됨
Merck: 13 · 13,5809
JECFA Number: 2270 · 2270
BRN: 3685824 · 3685824
안정성: 안정적인. 강한 산화제와 호환되지 않습니다.
주요 응용: 펩타이드 합성
InChI: 1S/C4H9NO2S.ClH/c1-7-4(6)3(5)2-8;/h3,8H,2,5H2,1H3;1H/t3-;/m0./s1
InChIKey: WHOHXJZQBJXAKL-DFWYDOINSA-N
SMILES: Cl[H].COC(=O)[C@@H](N)CS

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.

Warning

H315 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationL-Cysteine, methyl ester, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

안전 데이터

wgk: 2
rtecs: HA2460000
HS 번호: 29309090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
F 고인화성물질: 1-10
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationAgents that increase mucous excretion. Mucolytic agents, that is drugs that liquefy mucous secretions, are also included here.

용도 및 제조

Use Classification · 2건

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

응용 분야 · 1건

용도L-Cysteine methyl ester hydrochloride is a biochemical shown to inhibit binding of ethynylestradiol metabolites to protein and nucleic acids. It used in the synthesis of peptides, Preparation of thiazolidine-4-carboxylates with carbonyl compounds.

제조 방법

L-Cysteine methyl ester hydrochloride is prepared by esterification of L-cysteine hydrochloride monohydrate with methanol in the presence of hydrogen chloride.