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5-Nitro BAPTA Tetramethyl Ester | CAS 172646-43-4
| Catalog Number | A14-0081 |
| Category | Calcium, Chloride and Other indicators |
| Molecular Formula | C26H31N3O12 |
| Molecular Weight | 577.54 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
A cell-permeant ester form enabling intracellular calcium manipulation. Ideal for live-cell imaging and Ca2+-dependent signaling research-buy online.
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]phenoxy]ethoxy]-N-(2-methoxy-2-oxoethyl)-4-nitroanilino]acetic acid methyl ester; methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]phenoxy]ethoxy]-N-(2-methoxy-2-oxoethyl)-4-nitroanilino]acetate |
| IUPAC Name | methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]phenoxy]ethoxy]-N-(2-methoxy-2-oxoethyl)-4-nitroanilino]acetate |
| Canonical SMILES | COC(=O)CN(CC(=O)OC)C1=C(C=C(C=C1)[N+](=O)[O-])OCCOC2=CC=CC=C2N(CC(=O)OC)CC(=O)OC |
| InChI | InChI=1S/C26H31N3O12/c1-36-23(30)14-27(15-24(31)37-2)19-7-5-6-8-21(19)40-11-12-41-22-13-18(29(34)35)9-10-20(22)28(16-25(32)38-3)17-26(33)39-4/h5-10,13H,11-12,14-17H2,1-4H3 |
| InChIKey | SKSQLUXELUIUKW-UHFFFAOYSA-N |
| Appearance | Solid powder |
| LogP | 1.88060 |
| Excitation | 629 |
| Emission | 655 ±5 |
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 19 |
| Exact Mass | 577.19077343 g/mol |
| Monoisotopic Mass | 577.19077343 g/mol |
| Topological Polar Surface Area | 176Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 846 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2010105097-A1 | Two-photon probe for real-time monitoring of intracellular calcium ions, method for preparing the probe and method for real-time monitoring of intracellular calcium ions using the probe, | 2007-09-07 |
| US-8084647-B2 | Two-photon probe for real-time monitoring of intracellular calcium ions, method for preparing the probe and method for real-time monitoring of intracellular calcium ions using the probe | 2007-09-07 |
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