N-アセチル-L-グルタミン酸

N-acetyl-L-glutamic acid

HCID 70914
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
1188-37-0
標準SMILES
CC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIKey
RFMMMVDNIPUKGG-YFKPBYRVSA-N
分子式
C7H11NO5
平均分子量
189.17 g/mol
単同位体質量
189.06372245

名称と識別子

優先名称
N-acetyl-L-glutamic acid
IUPAC
(2S)-2-acetamidopentanedioic acid
現地名
N-アセチル-L-グルタミン酸
英語名
N-Acetyl-L-glutamic acid
分子式
C7H11NO5
分子量
189.17

名称と別名

N-Acetyl-L-glutamic acid1188-37-0acetylglutamic acidAcetyl-L-glutamic acidN-acetyl-L-glutamateAcetyl glutamic acid(2S)-2-acetamidopentanedioic acidAc-Glu-OHL-N-Acetylglutamic acidL-Glutamic acid, N-acetyl-Glutamic acid, N-acetyl-, L-N-Ac-Glu-OH
名称をさらに表示
N-アセチル-L-グルタミン酸アセチルグルタミン酸N-アセチル-L-グルタミン酸, 99%N-アセチルグルタミン酸N-Acetylglutamic acidn-acetylglutamateNAcGluN-AC-L-GLUAc-L-Glu-OHl-glutamicaciN-Ac-L-Glu-OH
DTXSID3046534MA61H539YZCHEBI:17533N-acetyl-L-glutaminic acidCHEMBL1234751FEMA NO. 4752N-ACETYL-S-GLUTAMIC ACID(2S)-2-(acetylamino)pentanedioic acid

データベース識別子

CAS
1188-37-0、5817-08-3
PubChem CID
70914
DTXSID
DTXSID3046534
ChEMBL
CHEMBL1234751
ChEBI
CHEBI:17533
UNII
MA61H539YZ
Nikkaji
J37.497K

物性

構造計算による物性

XLogP
-1.8
極性表面積
104 Ų
水素結合供与体数
3
水素結合受容体数
5
回転可能結合数
5
重原子数
13

実験および物理化学的性質

Solubility · 3 件

52 mg/mL

Soluble

Sparingly soluble (in ethanol)

Melting Point · 2 件

199

199 - 201 °C

Physical Description · 2 件

Solid

White powder or white crystals; Savoury, cooked roasted

Collision Cross Section · 5 件

141 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

139.63 Ų [M-H]- [CCS Type: DT; Method: stepped-field]；149.63 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]；139.03 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]

141.7 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

143.3 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；142.4 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；136.9 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

142.5 Ų [M+Na]+；143.5 Ų [M-2H+Na]-；137 Ų [M-H]-

物理化学的性質

融点
194 · 194-196 °C(lit.)
比旋光度
-16 · -16 º (c=1, water)
沸点
324.41 °C · 324.41°C (rough estimate)
比重(密度)
1.4119 · 1.4119 (rough estimate)
FEMA
4752 · 4752 | N-ACETYL GLUTAMATE
屈折率
-15 ° · -15 ° (C=1, H2O)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 93.8% (15 of 16) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 15 of 16 companies (only 6.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 16 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 15 of 16 reports by companies.；There is 1 notification provided by 1 of 16 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 27-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26044；Status: Cease Manufacture Update: 24-03-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16366

L-Glutamic acid, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

毒性情報

Toxicity Summary · 2 件

The panel concluded that the 115 amino acid alkyl amides listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Acetyl Glutamic Acid

Safe for use in cosmetics, with qualifications

法規制情報

Regulatory Information · 2 件

Status: Active Update: 27-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26044；Status: Cease Manufacture Update: 24-03-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16366

L-Glutamic acid, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
2
tsca
TSCA listed
rtecs
LZ9725000
hs_code
29241900
化審法
(9)-2029
safety_code
24/25

化学と産業

薬理情報

Tissue LocationsLiver；Placenta
Cellular LocationsMitochondria

用途と製造

UsesCIR ingredient: Acetyl Glutamic Acid
Use Classification · 3 件

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Cosmetics -> Skin conditioning

General Manufacturing Information · 2 件

L-Glutamic acid, N-acetyl-: ACTIVE

Glutamic acid, N-acetyl-: INACTIVE

応用分野

用途有機合成原料。

使用N-Acetyl-L-glutamic Acid is the N-Acetyl analogue of the non-essential amino acid, L-glutamic acid (G596960). N-Acetyl-L-glutamic Acid activates carbamoyl phosphate synthetase in the urea cycle.

調製方法 · 1 件

純化方法A likely impurity is glutamic acid. Crystallise it from boiling water. It inhibits N-acetyl-L-glutamate synthase. [Greenstein & Winitz The Chemistry of the Amino Acids J. Wiley, Vol 3 p 1948 1961, Shigesada & Tatibana Eur J Biochem 84 285 1978, Coude Biochem Biophys Res Commun 102 1016 1981, Beilstein 4 IV 3047.]

サプライヤー100 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京一化生物科技有限公司13429882898; 13429882898
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

補足説明

定義本品は、グルタミン酸(*)をアセチル化したものであり、次の化学式で表される。参照表示名称：グルタミン酸

関連反応

5 件
反応記録を作成

化合物ノート

読み込み中…