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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

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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.

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	176Å²
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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