5-Nitro BAPTA Tetramethyl Ester

What We Offer

5-Nitro BAPTA Tetramethyl Ester

5-Nitro BAPTA Tetramethyl Ester | 172646-43-4

Catelog Number A14-0081
Category Calcium, Chloride Indictors and Other indicators
Molecular Formula C26H31N3O12
Molecular Weight 577.54
Catalog Number Size Price Quantity
A14-0081 -- $--

Product Introduction

5-Nitro BAPTA tetramethyl ester is a building block used in the synthesis of Ca2+ specific chelators, Ca2+ buffers, and fluorescent Ca2+ indicators.

Chemical Information

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
InChI Key SKSQLUXELUIUKW-UHFFFAOYSA-N
Appearance Solid powder
LogP 1.88060

Product Specification

Excitation 629
Emission 655 ±5

Computed Properties

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

Patents

Publication NumberTitlePriority 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
cartIcon
Inquiry Basket