N-カルボベンゾキシ-L-プロリン

Benzyloxycarbonyl-L-proline

HCID 101987CAS 1148-11-4

基本情報

標準SMILES
O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIKey
JXGVXCZADZNAMJ-NSHDSACASA-N
分子式
C13H15NO4
平均分子量
249.26 g/mol
単同位体質量
249.10010796

概要

an inhibitor of prolidase

名称と識別子

優先名称
Benzyloxycarbonyl-L-proline
IUPAC
(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
現地名
N-カルボベンゾキシ-L-プロリン
英語名
N-Benzyloxycarbonyl-L-proline
分子式
C13H15NO4
分子量
249.26

名称と別名

1148-11-4CarbobenzoxyprolineBenzyloxycarbonyl-L-prolineCarbobenzoxy-S-prolineCbz-Procbz-prolineH2BS8M5FPP1,2-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, (S)-DTXSID40150856RefChem:829273DTXCID3073347Z-Pro-OH
名称をさらに表示
N-カルボベンゾキシ-L-プロリン1-(ベンジルオキシカルボニル)プロリン1-(ベンジルオキシカルボニル)ピロリジン-2α-カルボン酸N-[(ベンジルオキシ)カルボニル]-L-プロリン(2S)-1-ベンジルオキシカルボニルピロリジン-2-カルボン酸(2S)-1,2-ピロリジンジカルボン酸水素1-ベンジル(S)-1-(ベンジルオキシカルボニル)ピロリジン-2-カルボン酸(2S)-ピロリジン-1,2-ジカルボン酸1-ベンジル1-(ベンジルオキシカルボニル)-L-プロリンピロリジン-1,2α-ジカルボン酸1-ベンジルN-(ベンジルオキシカルボニル)-L-プロリン(2S)-1-(ベンジルオキシカルボニル)ピロリジン-2-カルボン酸N-(ベンジルオキシカルボニル)プロリン(2S)-ピロリジン-1,2α-ジカルボン酸1-ベンジル1-ベンジルオキシカルボニル-L-プロリン1-[(ベンジルオキシ)カルボニル]-L-プロリン(2S)-1,2α-ピロリジンジカルボン酸1-フェニルメチル(2S)-1-(ベンジルオキシカルボニル)ピロリジン-2α-カルボン酸N-Cbz-L-プロリン(2S)-1,2-ピロリジンジカルボン酸1-ベンジル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

データベース識別子

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

物性

構造計算による物性

XLogP
1.7
極性表面積
66.8 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
4
重原子数
18

物理化学的性質

融点
75 · 75-77 °C
比旋光度
-60 · -60 º (c=2,AcOH)
沸点
392.36 °C · 392.36°C (rough estimate)
比重(密度)
1.1952 · 1.1952 (rough estimate)
屈折率
-40 ° · -40 ° (C=2, EtOH)
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (37.5%)

安全データ

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

化学と産業

応用分野 · 2 件

用途ペプチド合成用原料。

使用N-(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.

調製方法 · 1 件

製造方法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.

サプライヤー50 社

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]

関連反応

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