エチレンビス[オキシ(2,1-フェニレン)ニトリロ]四酢酸

Bapta

HCID 104751CAS 85233-19-8
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基本情報

標準SMILES
O=C(O)CN(CC(=O)O)c1ccccc1OCCOc1ccccc1N(CC(=O)O)CC(=O)O
InChIKey
FTEDXVNDVHYDQW-UHFFFAOYSA-N
分子式
C22H24N2O10
平均分子量
476.4 g/mol
単同位体質量
476.14309497

概要

BAPTA is a polyamino carboxylic acid in which bis(carboxymethyl)nitrilo groups are bonded to C-2 and C-2' of 1,1'-[ethane-1,2-diylbis(oxy)]dibenzene. It has a role as a chelator. It is a tetracarboxylic acid and a polyamino carboxylic acid.

名称と識別子

優先名称
Bapta
IUPAC
2-[2-[2-[2-[bis(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid
現地名
エチレンビス[オキシ(2,1-フェニレン)ニトリロ]四酢酸
英語名
BAPTA
分子式
C22H24N2O10
分子量
476.43

名称と別名

BAPTA85233-19-8Bapeta1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid1,2-Bis(o-aminophenoxy)ethane-N,N,N',N'-tetraacetic acidK22DDW77C0DTXSID30234432Glycine, N,N'-(1,2-ethanediylbis(oxy-2,1-phenylene)bis(N-(carboxymethyl)-CHEBI:608882,2',2'',2'''-[ethane-1,2-diylbis(oxy-2,1-phenylenenitrilo)]tetraacetic acidGlycine, N,N'-(1,2-ethanediylbis(oxy-2,1-phenylene))bis(N-(carboxymethyl)-,tetrapotassium salt2,2',2'',2'''-(ethane-1,2-diylbis(oxy-2,1-phenylenenitrilo))tetraacetic acid
名称をさらに表示
[エチレンビス[オキシ(2,1-フェニレン)ニトリロ]]四酢酸[エチレンビス[オキシ(2,1-フェニレン)ニトリロ]]テトラキス酢酸エチレンビス(オキシ-2,1-フェニレン)ビスニトリロテトラ酢酸[エチレンビス(オキシ-2,1-フェニレンニトリロ)]テトラキス酢酸エチレンビス(オキシ)ビス(2,1-フェニレン)ビス(ニトリロ)四酢酸1,2-ビス(2-アミノフェノキシ)エタン-N,N,N',N'-四酢酸1,2-ビス(2-アミノ-フェノキシ)エタン-N,N,N',N'-四酢酸2,2',2'',2'''-[エチレンビスオキシビス(2,1-フェニレンニトリロ)]テトラキス酢酸[エチレンビス[オキシ(1,2-フェニレン)ニトリロ]]四酢酸エチレンビス[オキシ(2,1-フェニレン)ニトリロ]四酢酸[エチレンビス(オキシ-2,1-フェニレンニトリロ)]四酢酸エチレンビス(オキシ-2,1-フェニレンニトリロ)四酢酸N,N'-[1,2-エタンジイルビスオキシビス(2,1-フェニレン)]ビス[N-(カルボキシメチル)グリシン]O,O'-ビス(2-アミノフェニル)エチレングリコール-N,N,N',N'-四酢酸四カリウム, 水和物1,2-ビス(2-アミノフェノキシ)-エタン-N,N,N',N'-四酢酸1,2-ビス(2-アミノフェノキシ)エタン-N,N,N′,N′-四酢酸エチレンビス[オキシ-1,2-フェニレンニトリロ]テトラキス酢酸N,N′-[1,2-エタンジイルビスオキシビス(2,1-フェニレン)]ビス[N-(カルボキシメチル)グリシン]2,2′,2′′,2′′′-[エチレンビスオキシビス(2,1-フェニレンニトリロ)]テトラキス酢酸2-{[2-(2-{2-[ビス(カルボキシメチル)アミノ]フェノキシ}エトキシ)フェニル](カルボキシメチル)アミノ}酢酸Glycine, N,N'-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxyMethyl)-CS-2002BAPTA,97%BAPTA, >=98%BAPTA, Free AcidBAPTA, 10 mM in DMSO85233-19-8(free acid)BAPTA, extracellular calcium chelator1,2-BIS(2-AMINOPHENOXY)ETHANE-N,N,N',N'- TETRAACETI
RefChem:71704DTXCID30156923Glycine, N,N'-(1,2-ethanediylbis(oxy-2,1-phenylene))bis(N-(carboxymethyl))-,tetrapotassium salt629-173-6BAPTA free acidMFCD000362552,2',2'',2'''-(((Ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(azanetriyl))tetraacetic acid1,2-Bis-(2-amino-phenoxy)ethane N,N,N',N'-tetraacetic

データベース識別子

CAS
85233-19-8
PubChem CID
104751
DTXSID
DTXSID30234432
ChEMBL
CHEMBL1590868
ChEBI
CHEBI:60888
UNII
K22DDW77C0
EC Number
629-173-6
Nikkaji
J330.680A

物性

構造計算による物性

XLogP
2.2
極性表面積
174 Ų
水素結合供与体数
4
水素結合受容体数
12
回転可能結合数
15
重原子数
34

物理化学的性質

融点
177 · 177-179 °C
沸点
575.89 °C · 575.89°C (rough estimate)
比重(密度)
1.4482 · 1.4482 (rough estimate)
屈折率
1.65 · 1.6500 (estimate)
貯蔵温度
2 · 2-8°C
溶解性
ジメチルスルホキシドに可溶

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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 43 reports by companies from 3 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 (100%)

安全データ

wgk
3
hs_code
29225090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-37/39
ストレージクラス
11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

応用分野 · 2 件

使用BAPTA is a highly selective calcium chelating reagent. Lipophilic diesters of the chelating agent 1,2-Bis(2 aminophenoxy)ethane-N,N,N',N'-tetraacetic acid (BAPTA) are used for inhibition of proteolytic activities of certain metalloproteinases, calpain and TACE.

一般的な説明In nature 1,2-Bis(2-Aminophenoxy)ethane-N,N,N′,N′-tetra acetic acid (BAPTA) is a main metabolic product of BAPTA -AM (BAPTA-tetra(actoxymethyl ester), a neuro protective agent in cerebral ischemia, in rats.BAPTA is an intercellular Ca2+ chelator.

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]
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]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

補足説明

定義ChEBI: A polyamino carboxylic acid in which bis(carboxymethyl)nitrilo groups are bonded to C-2 and C-2' of 1,1'-[ethane-1,2-diylbis(oxy)]dibenzene.

関連反応

2 件
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