ZnAF-2 DA - ≥90% , CAS No.357339-96-9

CAS: 357339-96-9 Cat. No.: Z275826 Molecular Weight: 656.7 EC Number: 635-222-2 PubChem CID: 16760714

GRADE & PURITY ≥90%

Synonyms

MFCD08702725 | [6'-acetyloxy-6-[2-[bis(pyridin-2-ylmethyl)amino]ethylamino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate | ZnAF2 DA;ZnAF 2 DA | SCHEMBL14005753 | 5-{2-[Bis(2-pyridylmethyl)amino]ethylamino}fluorescein diacetate | J-100255 | MFCD08

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

MFCD08702725 | [6'-acetyloxy-6-[2-[bis(pyridin-2-ylmethyl)amino]ethylamino]-3-oxospiro[2-benzofuran-1, 9'-xanthene]-3'-yl] acetate | ZnAF2 DA;ZnAF 2 DA | SCHEMBL14005753 | 5-{2-[Bis(2-pyridylmethyl)amino]ethylamino}fluorescein diacetate | J-100255 | MFCD08

Specifications & Purity

≥90%

Biochemical and Physiological Mechanisms

Cell permeable derivative of ZnAF-2. Fluorescent reagent employed in the detection of zinc ion (after esterase hydrolysis).

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥90%

Names and Identifiers

• Canonical Smiles: CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=C(C=CC(=C5)NCCN(CC6=CC=CC=N6)CC7=CC=CC=N7)C(=O)O3
• IUPAC Name: [6'-acetyloxy-6-[2-[bis(pyridin-2-ylmethyl)amino]ethylamino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
• InChIKey: QRHJESKPYRPLIW-UHFFFAOYSA-N
• INCHI: 1S/C38H32N4O7/c1-24(43)46-29-10-13-32-35(20-29)48-36-21-30(47-25(2)44)11-14-33(36)38(32)34-19-26(9-12-31(34)37(45)49-38)41-17-18-42(22-27-7-3-5-15-39-27)23-28-8-4-6-16-40-28/h3-16,19-21,41H,17-18,22-23H2,1-2H3
• Isomeric SMILES: CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=C(C=CC(=C5)NCCN(CC6=CC=CC=N6)CC7=CC=CC=N7)C(=O)O3
• PubChem CID: 16760714
• Molecular Weight: 656.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Phthalides Benzofuranones Tricarboxylic acids and derivatives Isobenzofurans 2-pyridylmethylamines Secondary alkylarylamines Aralkylamines Benzenoids Heteroaromatic compounds Trialkylamines Lactones Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Isobenzofuranone - Phthalide - Benzofuranone - Isocoumaran - Isobenzofuran - Tricarboxylic acid or derivatives - 2-pyridylmethylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Secondary amine - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• 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

Chemical and Physical Properties

• Solubility: Soluble in DMSO
• Molecular Weight: 656.700 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 12
• Exact Mass: 656.227 Da
• Monoisotopic Mass: 656.227 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 1110.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1