Flunixin meglumine - ≥98% , CAS No.42461-84-7

CAS: 42461-84-7 Cat. No.: F121952 Molecular Weight: 491.46 EC Number: 255-836-0 PubChem CID: 39212

GRADE & PURITY ≥98%

Synonyms

AC-6012 | Banamine (vetarynary) | Flumeglumine | Q-201124 | 8Y3JK0JW3U | 1-Deoxy-1-(methylamino)-D-glucitol 2-(2-methyl-3-(perfluoromethyl)anilino)nicotinate | Flunazine | SR-05000001901-1 | (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentaol 2-(2-methy

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Flunixin Meglumine is a potent inhibitor of COX used as analgesic agent with anti-inflammatory and antipyretic activity.
Flunixin meglumine (IC50 = 1 nM) can be used as a drug for animals for the management of intestinal ischaemia, colic, and endotoxemia in horses.

Specifications

Synonyms

AC-6012 | Banamine (vetarynary) | Flumeglumine | Q-201124 | 8Y3JK0JW3U | 1-Deoxy-1-(methylamino)-D-glucitol 2-(2-methyl-3-(perfluoromethyl)anilino)nicotinate | Flunazine | SR-05000001901-1 | (2R, 3R, 4R, 5S)-6-(methylamino)hexane-1, 2, 3, 4, 5-pentaol 2-(2-methy

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Cyclooxigenase inhibitor. Anti-inflammatory, analgesic and antipyretic.Non-narcotic, non-steroidal anti-inflammatory drug (NSAID) used as an analgesic agent with antipyretic activities. Cyclooxygenase (COX) inhibitor. Used in animals for the management of

Storage

Store at 2-8°C

Shipped In

Wet ice

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. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753585
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753585
• Canonical Smiles: CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F.CNCC(C(C(C(CO)O)O)O)O
• IUPAC Name: (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
• InChIKey: MGCCHNLNRBULBU-WZTVWXICSA-N
• INCHI: 1S/C14H11F3N2O2.C7H17NO5/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-7H,1H3,(H,18,19)(H,20,21);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
• Isomeric SMILES: CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
• WGK Germany: 3
• RTECS: LZ4367000
• PubChem CID: 39212
• Molecular Weight: 491.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Hexoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Hexoses
• Alternative Parents: 1,3-aminoalcohols Secondary alcohols 1,2-aminoalcohols Polyols Monocarboxylic acids and derivatives Dialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Hexose monosaccharide - 1,3-aminoalcohol - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Polyol - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Primary alcohol - Hydrocarbon derivative - Amine - Alcohol - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
• External Descriptors: organoammonium salt

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

Associated Targets(Human)

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

Discover Target: TARDBP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Methanol, Water (Slightly)
• Melt Point(°C): 136.6-137.4°C
• Molecular Weight: 491.500 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 491.188 Da
• Monoisotopic Mass: 491.188 Da
• Topological Polar Surface Area: 175.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 510.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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: 2

XLogP3