tetracaesium(1+) ion 2-{[2-(2-{2-[bis(carboxylatomethyl)amino]phenoxy}ethoxy)phenyl](carboxylatomethyl)amino}acetate

• ChemBase编号: 161148
• 分子式: C22H20Cs4N2O10
• 平均质量: 1004.0234
• 单一同位素质量: 1003.73359885
• SMILES: c1(ccccc1OCCOc1c(cccc1)N(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Cs+].[Cs+].[Cs+].[Cs+]
• Canonical SMILES: [O-]C(=O)CN(c1ccccc1OCCOc1ccccc1N(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Cs+].[Cs+].[Cs+].[Cs+]
• InChI: InChI=1S/C22H24N2O10.4Cs/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);;;;/q;4*+1/p-4
• InChIKey: SLDZIKGGMGELCS-UHFFFAOYSA-J

名称和登记号

名称

• IUPAC标准名: tetracaesium(1+) ion 2-{[2-(2-{2-[bis(carboxylatomethyl)amino]phenoxy}ethoxy)phenyl](carboxylatomethyl)amino}acetate
• IUPAC传统名: tetracaesium(1+) ion 2-{[2-(2-{2-[bis(carboxylatomethyl)amino]phenoxy}ethoxy)phenyl](carboxylatomethyl)amino}acetate
• 别名: N,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)glycine Tetracesium Salt; BAPTA-tetracesium Salt

登记号

• CAS号: 480436-84-8
• PubChem SID: 162255283
• PubChem CID: 71313636

理论计算性质

• Acid pKa: 3.103757
• 质子受体: 12
• 质子供体: 0
• LogD (pH = 5.5): -5.409319
• LogD (pH = 7.4): -11.502751
• Log P: 1.587645
• 摩尔折射率: 159.6174 cm^3
• 极化性: 43.834656 Å^3
• 极化表面积: 185.46 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: Methanol; Water
• 外观: Pale Beige Solid
• 熔点: >210°C (dec.)

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - B123505

BAPTA-tetracesium salt is a cell membrane impermeable form BAPTA which is highly selective for calcium chelation.

参考文献

• Partin, K.M., et al.: Neuron., 14, 833 (1995)
• Glitsch, M.D., et al.: J. Physiol., 523, 283 (1995)