Methoxatin disodium salt - ≥97%(HPLC) , CAS No.122628-50-6

CAS: 122628-50-6 Cat. No.: M132111 Molecular Weight: 374.17 EC Number: 961-572-3

GRADE & PURITY ≥97%(HPLC)

Synonyms

PQQ | Disodium 4,5-dihydro-4,5-dioxo-1H-pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylate | CCG-268344 | Pyrroloquinolinequinone disodium; 1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4,5-dihydro-4,5-dioxo-, disodium salt (9CI); BioPQQ; Pyrroloquinolin

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

An organic enzyme cofactor.

Specifications

Synonyms

PQQ | Disodium 4, 5-dihydro-4, 5-dioxo-1H-pyrrolo(2, 3-f)quinoline-2, 7, 9-tricarboxylate | CCG-268344 | Pyrroloquinolinequinone disodium; 1H-Pyrrolo[2, 3-f]quinoline-2, 7, 9-tricarboxylic acid, 4, 5-dihydro-4, 5-dioxo-, disodium salt (9CI); BioPQQ; Pyrroloquinolin

Specifications & Purity

≥97%(HPLC)

Biochemical and Physiological Mechanisms

Pyrroloquinoline quinone (PQQ) is used as a cofactor (prosthetic group) for enzyme-catalyzed redox reactions of glucose and methanol dehydrogenase(s). PQQ is used in liposomes to establish a simple homogeneous assay for the detection of membrane permeabil

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 488194234
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194234
• Canonical Smiles: C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate
• InChIKey: UFVBOGYDCJNLPM-UHFFFAOYSA-L
• INCHI: 1S/C14H6N2O8.2Na/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18;;/h1-2,15H,(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2
• Isomeric SMILES: C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]
• Molecular Weight: 374.17
• Reaxy-Rn: 19889073
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19889073&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Pyrroloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Pyrroloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrroloquinoline quinones
• Alternative Parents: Quinoline carboxylic acids Pyridinecarboxylic acids Indoles and derivatives Aryl ketones Pyrrole 2-carboxylic acids O-quinones Substituted pyrroles Vinylogous amides Heteroaromatic compounds Carboxylic acid salts Azacyclic compounds Carboxylic acids Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic sodium salts
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrroloquinoline quinone - Quinoline-2-carboxylic acid - Quinoline-4-carboxylic acid - Pyridine carboxylic acid or derivatives - Indole or derivatives - Pyridine carboxylic acid - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Quinone - Aryl ketone - O-quinone - Substituted pyrrole - Pyridine - Heteroaromatic compound - Pyrrole - Vinylogous amide - Carboxylic acid salt - Ketone - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrroloquinoline quinones. These are compounds with a structure based on the 2,7,-tricarboxy-1H-pyrrolo[2,3-f ]quinoline-4,5-dione. Pyrroloquinoline Quinones usually bear a carboxylic acid group at the C-2, C-7 and C-9 positions.
• 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

• Sensitivity: Air sensitive
• Molecular Weight: 374.170 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 373.976 Da
• Monoisotopic Mass: 373.976 Da
• Topological Polar Surface Area: 180.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 636.000
• 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: 3

XLogP3

References

1. Ning Xia, Dehua Deng, Xiangsheng Mu, Ang Liu, Jiaxun Xie, Dandan Zhou, Ping Yang, Yun Xing, Lin Liu.  (2019)  Colorimetric immunoassays based on pyrroloquinoline quinone-catalyzed generation of Fe(II)-ferrozine with tris(2-carboxyethyl)phosphine as the reducing reagent.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2019.127571]