5-Nitro BAPTA tetramethyl ester , CAS No.172646-43-4

CAS: 172646-43-4 Cat. No.: N1452680 Formula: C₂₆H₃₁N₃O₁₂ PubChem CID: 59290009

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

5-Nitro BAPTA tetramethyl ester is a calcium chelator. 5-Nitro BAPTA tetramethyl ester involves in the two-photon probe synthesis, and is used for real-time imaging of intracellular calcium ions, calcium waves monitoring at a depth of 100-300 μm in liver tissues for 1100-4000 s. 5-Nitro BAPTA tetramethyl ester, together with fluorescent compound 2-Me-substituted TM, can be used to form a red fluorescent probe (CaTM-2 AM).

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

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

IUPAC Name

methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]phenoxy]ethoxy]-N-(2-methoxy-2-oxoethyl)-4-nitroanilino]acetate

InChIKey

SKSQLUXELUIUKW-UHFFFAOYSA-N

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

Isomeric 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

PubChem CID

59290009

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Alpha amino acid esters Nitrophenyl ethers Aminophenyl ethers Phenoxy compounds Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Alkyl aryl ethers Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Organic oxides Organic salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Tetracarboxylic acid or derivatives - Nitrophenyl ether - Alpha-amino acid or derivatives - Aminophenyl ether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Tertiary amine - Organic oxoazanium - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y