2-アミノイソ酪酸

Aminoisobutyric acid

HCID 6119CAS 62-57-7
部分構造検索類似構造を探す

基本情報

標準SMILES
CC(C)(N)C(=O)O
InChIKey
FUOOLUPWFVMBKG-UHFFFAOYSA-N
分子式
C4H9NO2
平均分子量
103.12 g/mol
単同位体質量
103.06332853

概要

2-aminoisobutyric acid is a rare, non-protein amino acid and end-product of pyrimidine metabolism, excreted in urine and found in some antibiotics of fungal origin. With the exception of a few bacteria, it is non-metabolisable, and therefore used in bioassays. It is functionally related to an isobutyric acid and a propionic acid. It is a tautomer of a 2-aminoisobutanoic acid zwitterion.

名称と識別子

優先名称
Aminoisobutyric acid
IUPAC
2-amino-2-methylpropanoic acid
現地名
2-アミノイソ酪酸
英語名
2-Aminoisobutyric Acid
分子式
C4H9NO2
分子量
103.12

名称と別名

2-Aminoisobutyric acid62-57-72-Amino-2-methylpropanoic acidALPHA-AMINOISOBUTYRIC ACIDAlanine, 2-methyl-alpha-Methylalaninealpha-Aminoisobutanoic acidalpha,alpha-DimethylglycineAminoisobutyric acid1E7ZW41IQUCB 1637CHEBI:27971
名称をさらに表示
2-アミノイソ酪酸α-メチル-L-アラニン2-メチル-L-アラニン2-メチル-2-アミノプロピオン酸α-アミノイソ酪酸2-メチル-2-アミノプロパン酸α-アミノ-α-メチルプロピオン酸2-メチルアラニン2,2-ジメチルグリシン2-アミノ-2-メチルプロパン酸2-アミノ-2-メチルプロピオン酸2-メチル-D-アラニン2-メチルイソ酪酸 2-メチルアラニン2-アミノイソ酪酸(α-〃)2‐アミノイソ酪酸AIBAib-OHL-Aib-OHN-ME-ALA-OHN-ME-ALANINE
NSC-16590RefChem:465156200-544-02-MethylalanineH-Aib-OH2-Amino-2-methylpropionic acidNSC 16590a-Aminoisobutyric acid

データベース識別子

CAS
62-57-7
PubChem CID
6119
DTXSID
DTXSID0058772
ChEMBL
CHEMBL1230906
ChEBI
CHEBI:27971
UNII
1E7ZW41IQU
EC Number
200-544-0
Nikkaji
J38.908K

物性

構造計算による物性

XLogP
-2.8
極性表面積
63.3 Ų
水素結合供与体数
2
水素結合受容体数
3
回転可能結合数
1
重原子数
7

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amino Carboxylic Acids
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
Solubility181 mg/mL at 25 °C
Melting Point335 °C
Physical Description · 2 件

Solid; [Merck Index] White solid; [Sigma-Aldrich MSDS]

Solid

物理化学的性質

融点
300 °C · ≥300 °C
沸点
193.35 °C · 193.35°C (rough estimate)
比重(密度)
1.1602 · 1.1602 (rough estimate)
屈折率
1.4183 · 1.4183 (estimate)
貯蔵温度
30 °C · Store below +30°C.
溶解性
溶ける

化学的性質

化学的特性White crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 6.3% (4 of 63) of reports.

Warning

H319 (93.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 63 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Alanine, 2-methyl-

Status: Active Update: 21-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30036

Alanine, 2-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryIntraperitoneal LD50 (mouse) = 750 mg/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See (1)-3-Amino-2-methylpropionic acid.
Hazard Classes and CategoriesEye Irrit. 2A (93.7%)

安全データ

wgk
3
tsca
TSCA listed
rtecs
AY7000000
hs_code
29224995
化審法
(2)-1214, (9)-2028
safety_code
22-24/25

化学と産業

薬理情報

Tissue LocationsProstate
Cellular LocationsCytoplasm

用途と製造

General Manufacturing InformationAlanine, 2-methyl-: ACTIVE
応用分野 · 3 件

解説β-アミノイソ酪酸，尿中に排泄されるアミノ酸の一種。排泄量は各人に固有で，食物などの環境の影響を受けずほとんど一定値を示す。排泄量には個体差がみられ，1日 10mg以下の少量のものから 100～300mgの多量のものまで連続変異を示す。普通 10～40mgのものが多い。多量排泄は遺伝的にコントロールされており，白人には少く，東アジアの諸集団に多い。ブリタニカ国際大百科事典 小項目事典 ブリタニカ

用途アミノ酸研究用、有機合成原料。

使用2-Aminoisobutyric Acid inotransferases which can be used as a diagnostic tool to predict type II diabetes.

調製方法

製造方法α-Aminoisobutyric Acid is prepared from Acetone (Blatt: Org. Synth. CoIl. vol. H, page 29, 1943) or by the Bucherer method (Org. Synth. vol. XX, 1940, page 42).

純化方法Crystallise the acid from aqueous EtOH and dry it at 110o. [Zelinski & Stadnikoff Chem Ber 39 1726 1906, Beilstein

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
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 · 1 件

定義ChEBI: A rare, non-protein amino acid and end-product of pyrimidine metabolism, excreted in urine and found in some antibiotics of fungal origin. With the exception of a few bacteria, it is non-metabolisable, and therefore used in bioassays.

関連反応

172 件
反応記録を作成

関連ノート

読み込み中…