methyl 2-{[2-(2-{2-[bis(2-methoxy-2-oxoethyl)amino]-5-methylphenoxy}ethoxy)-4-formylphenyl](2-methoxy-2-oxoethyl)amino}acetate

• ChemBase ID: 76224
• Molecular Formular: C28H34N2O11
• Molecular Mass: 574.57636
• Monoisotopic Mass: 574.21625992
• SMILES: N(c1c(cc(cc1)C)OCCOc1c(ccc(c1)C=O)N(CC(=O)OC)CC(=O)OC)(CC(=O)OC)CC(=O)OC
• Canonical SMILES: COC(=O)CN(c1ccc(cc1OCCOc1cc(C=O)ccc1N(CC(=O)OC)CC(=O)OC)C)CC(=O)OC
• InChI: InChI=1S/C28H34N2O11/c1-19-6-8-21(29(14-25(32)36-2)15-26(33)37-3)23(12-19)40-10-11-41-24-13-20(18-31)7-9-22(24)30(16-27(34)38-4)17-28(35)39-5/h6-9,12-13,18H,10-11,14-17H2,1-5H3
• InChIKey: GKTVRWOCZLYLJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-{[2-(2-{2-[bis(2-methoxy-2-oxoethyl)amino]-5-methylphenoxy}ethoxy)-4-formylphenyl](2-methoxy-2-oxoethyl)amino}acetate; methyl 2-{[2-(2-{2-[bis(2-methoxy-2-oxoethyl)amino]-5-formylphenoxy}ethoxy)-4-methylphenyl](2-methoxy-2-oxoethyl)amino}acetate
• IUPAC Traditional name: methyl 2-{[2-(2-{2-[bis(2-methoxy-2-oxoethyl)amino]-5-methylphenoxy}ethoxy)-4-formylphenyl](2-methoxy-2-oxoethyl)amino}acetate; methyl 2-{[2-(2-{2-[bis(2-methoxy-2-oxoethyl)amino]-5-formylphenoxy}ethoxy)-4-methylphenyl](2-methoxy-2-oxoethyl)amino}acetate
• Synonyms: Tetramethyl 5-Formyl-5'-Methyl Bis-(2-Aminophenoxymethylene)-N,N,N',N'-Tetraacetate; N-[2-[2-[2-[Bis(2-methoxy-2-oxoethyl)amino]-5-formylphenoxy]ethoxy]-4-methylphenyl]-N-(2-methoxy-2-oxoethyl)-glycine Methyl Ester; BAPTA-TMFM; BAPTA-TMFM; Tetramethyl 5-formyl-5'-methylbis-(2-aminophenoxy-methylene)-N,N,N',N'-tetraacetate

Database IDs

• CAS Number: 96315-11-6
• MDL Number: MFCD00291363
• PubChem SID: 162041132
• PubChem CID: 2735438

CALCULATED PROPERTIES

• H Acceptors: 9
• H Donor: 0
• LogD (pH = 5.5): 2.397145
• LogD (pH = 7.4): 2.397145
• Log P: 2.397145
• Molar Refractivity: 146.9706 cm^3
• Polarizability: 56.236156 Å^3
• Polar Surface Area: 147.21 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Light Yellow Crystals
• Melting Point: 132-133°C; 132-133°C

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: Irritant/Light Sensitive/Store under Argon/Store at -20°C

DETAILS

Apollo Scientific Ltd - OR1275T

A new fluorescent chelating indicator to study the physiological role of cytosolic free Calcium.

Toronto Research Chemicals - B127500

BAPTA-TMFM is a fluorescent chelating indicator used to study the role of cytosolic free calcium.Fluorescence: max. Abs. 284nm; e x 10-3: 5.1

REFERENCES

• Grynkiewicz, G., et al.: J. Biol. Chem., 260, 6, 3440 (1985)
• Li, B., et al.: Brain Res., 1226, 199 (1985)
• Chen, W., et al.: Mol. Endocrinol., 22, 1754 (1985)
• Tonkikh, A., et al.: Neurosci., 159, 1300 (1985)