tetrapotassium 2-{[2-(2-{2-[bis(carboxylatomethyl)amino]phenoxy}ethoxy)phenyl](carboxylatomethyl)amino}acetate

• ChemBase ID: 103055
• Molecular Formular: C22H20K4N2O10
• Molecular Mass: 628.7948
• Monoisotopic Mass: 627.96662157
• SMILES: [K+].[K+].[K+].[K+].[O-]C(=O)CN(CC(=O)[O-])c1c(OCCOc2c(cccc2)N(CC(=O)[O-])CC(=O)[O-])cccc1
• Canonical SMILES: [O-]C(=O)CN(c1ccccc1OCCOc1ccccc1N(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+]
• InChI: InChI=1S/C22H24N2O10.4K/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: MAWIDOKQOLSOFT-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapotassium 2-{[2-(2-{2-[bis(carboxylatomethyl)amino]phenoxy}ethoxy)phenyl](carboxylatomethyl)amino}acetate
• IUPAC Traditional name: tetrapotassium 2-{[2-(2-{2-[bis(carboxylatomethyl)amino]phenoxy}ethoxy)phenyl](carboxylatomethyl)amino}acetate; tetrapotassium ion 2-{[2-(2-{2-[bis(carboxylatomethyl)amino]phenoxy}ethoxy)phenyl](carboxylatomethyl)amino}acetate
• Synonyms: N,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)glycine Tetrapotassium Salt; BAPTA-tetrapotassium Salt; BAPTA; 1,2-bis(o-AMINOPHENOXY)ETHANE-N,N,N',N'-TETRAACETIC ACID

Database IDs

• CAS Number: 73630-08-7
• PubChem SID: 162089807
• PubChem CID: 126423

CALCULATED PROPERTIES

• Acid pKa: 3.103757
• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): -5.409354
• LogD (pH = 7.4): -11.502782
• Log P: 1.587645
• Molar Refractivity: 159.6174 cm^3
• Polarizability: 43.834656 Å^3
• Polar Surface Area: 185.46 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02150467

Potassium Salt
Useful as chelating agent for calcium in cell biological studies.

Toronto Research Chemicals - B123510

BAPTA-tetrapotassium salt is a selective calcium chelator with greater affinity for Ca2+ than for Mg2+. This product is a high quality and sensitive compound for calcium signaling studies, investigation of signal transduction including apoptotic cascades,

REFERENCES

• R.Y. Tsien, Biochemistry , 19 : 2396, (1980).
• Tsien, R.Y., et al.: Biochemistry, 19, 2396 (1980)