2-{[2-(2-{2-[bis(carboxymethyl)amino]phenoxy}ethoxy)phenyl](carboxymethyl)amino}acetic acid

• ChemBase编号: 80874
• 分子式: C22H24N2O10
• 平均质量: 476.43336
• 单一同位素质量: 476.14309498
• SMILES: N(c1c(cccc1)OCCOc1c(cccc1)N(CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O
• Canonical SMILES: OC(=O)CN(c1ccccc1OCCOc1ccccc1N(CC(=O)O)CC(=O)O)CC(=O)O
• InChI: InChI=1S/C22H24N2O10/c25-19(26)11-23(12-20(27)28)15-5-1-3-7-17(15)33-9-10-34-18-8-4-2-6-16(18)24(13-21(29)30)14-22(31)32/h1-8H,9-14H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
• InChIKey: FTEDXVNDVHYDQW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{[2-(2-{2-[bis(carboxymethyl)amino]phenoxy}ethoxy)phenyl](carboxymethyl)amino}acetic acid
• IUPAC传统名: bapta
• 别名: 2,2′-(亚乙二氧基)双苯胺-N,N,N′,N′-四乙酸; 亚乙二氧基双(邻亚苯基次氮基)四乙酸; 1,2-双(2-氨基苯氧基)乙烷-N,N,N′,N′-四乙酸; 1,2-双(2-氨基苯氧基)乙烷-N,N,N',N'-四乙酸; 1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic Acid; N,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)glycine; BAPTA; 1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid; BAPTA; 2,2′-(Ethylenedioxy)dianiline-N,N,N′,N′-tetraacetic acid; Ethylenedioxybis(o-phenylenenitrilo)tetraacetic acid; 1,2-Bis(2-Aminophenoxy)ethane-N,N,N′,N′-tetraacetic acid; BAPTA; 1,2-Bis-(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid

登记号

• CAS号: 85233-19-8
• MDL号: MFCD00036255
• Beilstein号: 5192406
• 默克索引号: 14957
• PubChem SID: 24890924; 24848702; 162067993
• PubChem CID: 104751
• CHEBI ID: 60888
• Chemspider ID: 94562
• 维基百科标题: BAPTA

理论计算性质

• Acid pKa: 3.103757
• 质子受体: 12
• 质子供体: 4
• LogD (pH = 5.5): -5.409354
• LogD (pH = 7.4): -11.502782
• Log P: 1.587645
• 摩尔折射率: 116.269 cm^3
• 极化性: 44.29554 Å^3
• 极化表面积: 174.14 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: aqueous Acid; aqueous Base; DMSO
• 外观: White to Off-White Solid
• 熔点: 168-171°C; 177–179 °C; 189-190°C; ca 174°C dec.
• 密度: 1.494 g/cm^3
• 荧光: λex 251 nm; λem 363 nm (pH 8.0 Highly selective calcium chelating reagent. Suitable for the spectrophotometric monitoring of Ca2+ levels ); λex 274 nm; λem 363 nm (With Calcium)

安全信息

• 保存条件: -20°C Freezer
• 保存注意事项: Irritant/Store at -20°C
• RTECS编号: MC0423000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36; 26-37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥96.0% (HPLC); 90%; 97%; 98%
• 级别: technical grade
• Empirical Formula (Hill Notation): C22H24N2O10

详细说明

Apollo Scientific Ltd - OR2350T

A highly selective calcium-ion chelating reagent.

Sigma Aldrich - A4926

包装
1, 5 g in poly bottle
250 mg in poly bottle

Sigma Aldrich - 14510

Application
高选择性钙螯合试剂。适用于分光光度法监测 Ca2+ 水平

Toronto Research Chemicals - B123500

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

参考文献

• Tsien, R.Y., Biochemistry, 19, 2396 (1980)
• Wu, S.Y., et al.: J. Neurophysiology, 74, 2600 (1980)
• Venant, A., et al.: Biol. Cell, 85, 197 (1980)
• Tucker, T., et al.: Neuron, 15, 1323 (1995)