Benzyloxycarbonyl-L-proline

HCID 101987CAS 1148-11-4

기본 정보

표준 SMILES
O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIKey
JXGVXCZADZNAMJ-NSHDSACASA-N
분자식
C13H15NO4
평균 분자량
249.26 g/mol
단동위원소 질량
249.10010796

개요

an inhibitor of prolidase

이름 및 식별자

우선 이름
Benzyloxycarbonyl-L-proline
IUPAC
(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
영어명
N-Benzyloxycarbonyl-L-proline
분자식
C13H15NO4
분자량
249.26

이름 및 동의어

1148-11-4CarbobenzoxyprolineBenzyloxycarbonyl-L-prolineCarbobenzoxy-S-prolineCbz-Procbz-prolineH2BS8M5FPP1,2-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, (S)-DTXSID40150856RefChem:829273DTXCID3073347Z-Pro-OH
이름 더 보기
CBZ-PRO-OHZ-ProCBZ-L-PROLINECBZ-L-ProZ-L-PRO-OHZ-PROLINECBZ-L-Pro-OH
N-Benzyloxycarbonyl-L-prolineZ-L-ProlineN-CBZ-L-PROLINEN-Carbobenzoxy-L-proline114-11-4BenzyloxycarbonylprolineCarbobenzyloxy-L-prolineMFCD00003170

데이터베이스 식별자

CAS
1148-11-4
PubChem CID
101987
DTXSID
DTXSID40150856
ChEMBL
CHEMBL3276375
UNII
H2BS8M5FPP
EC Number
214-557-4
Nikkaji
J25.953E

물성

구조 계산 물성

XLogP
1.7
극성 표면적
66.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
18

물리화학적 성질

녹는점
75 · 75-77 °C
끓는 점
392.36 °C · 392.36°C (rough estimate)
밀도
1.1952 · 1.1952 (rough estimate)
굴절률
-40 ° · -40 ° (C=2, EtOH)
저장 조건
Sealed in dry,Room Temperature
용해도
메탄올에 대한 용해도, 거의 투명함.

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 37.5% (3 of 8) of reports.

Danger

H315 (37.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (37.5%)

안전 데이터

wgk
3
rtecs
UY0745000
HS 번호
29339900
risk_code
62-36/37/38-20/21/22
hazard_code
Xn
safety_code
22-24/25-36-26

화학 및 산업

응용 분야 · 1건

용도N-(Benzyloxycarbonyl)-L-proline is a potent in vitro and in vivo inhibitor of prolidase; a specific peptidase that cleaves dipeptides with a C-terminal prolyl and hydroxylprolyl residue. It is also used in the synthesis of N-(L-Prolyl)-β-alanine which is a derivative of the naturally occurring beta amino acid β-Alanine.

제조 방법 · 1건

Caution! All procedures must be carried out in an efficient fume cupboard, wearing latex gloves and chemical-proof safety goggles. ι-Proline (10.0 g, 8.7 mmol) was dissolved in 2 m sodium hydroxide solution (40 mL), and the solution was cooled to ice-water temperature. Z-Cl (20.5 g, 12 mmol) was added portionwise, with vigorous stirring or occasional shaking, over a period of 30 min at 0–5 °C to the solution of l-proline. The ice bath was then removed and stirring or occasional shaking was continued for 30 min while the reaction mixture warmed to room temperature. The mixture was then acidified to Congo red by the gradual addition of concentrated hydrochloric acid, and the oil was extracted into ethyl acetate. The extract was dried over magnesium sulfate, the mixture was filtered, and the filtrate was concentrated in vacuo. The residue was extracted/triturated with warm tetrachloromethane. The washings were decanted and the residue was further purified by recrystallization from ethyl acetate/petroleum ether.

공급사50 곳

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]
扬州旭达生物科技有限公司15161820588; 15161820588 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

관련 반응

145건

연결된 노트

불러오는 중…