Sodium Meclofenamate Hydrate - 10mM in DMSO , CAS No.6385-02-0

CAS: 6385-02-0 Cat. No.: S425240 Molecular Weight: 318.13 EC Number: 228-983-3 PubChem CID: 4038

GRADE & PURITY 10mM in DMSO

Synonyms

DTXCID801476290 | 2-[(2,6-Dichloro-3-methylphenyl)amino]benzoic acid sodium salt | MLS001056523 | sodium 2-(2,6-dichloro-3-methylphenylamino)benzoate | M1269 | GLXC-26527 | HMS3649O09 | Lopac-M-4531 | NCGC00094073-01 | MECLOFENAMATE SODIUM | Benzoic acid,

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

DTXCID801476290 | 2-[(2, 6-Dichloro-3-methylphenyl)amino]benzoic acid sodium salt | MLS001056523 | sodium 2-(2, 6-dichloro-3-methylphenylamino)benzoate | M1269 | GLXC-26527 | HMS3649O09 | Lopac-M-4531 | NCGC00094073-01 | MECLOFENAMATE SODIUM | Benzoic acid,

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Non-selective, competitive COX1 and COX2 inhibitor (IC 50 values are 1.5 and 9.6 μM, respectively). Also inhibits 5-lipoxygenase (IC 50 = 46.8 μM) and human K v 2.1 channels (IC 50 = 155.9 μM). Analgesic effects in vivo .

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl.[Na+]
• IUPAC Name: sodium;2-(2,6-dichloro-3-methylanilino)benzoate
• InChIKey: OGPIIGMUPMPMNT-UHFFFAOYSA-M
• INCHI: 1S/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);/q;+1/p-1
• Isomeric SMILES: CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl.[Na+]
• WGK Germany: 3
• RTECS: CB2975500
• PubChem CID: 4038
• Molecular Weight: 318.13
• Reaxy-Rn: 4222941

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzoic acids
• Alternative Parents: Benzoic acids Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Dichlorobenzenes Aryl chlorides Vinylogous amides Amino acids Carboxylic acid salts Secondary amines Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Organic oxides Organic sodium salts Organic zwitterions Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives Organochlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid - Benzoic acid - 1,3-dichlorobenzene - Aminotoluene - Benzoyl - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Toluene - Aryl chloride - Aryl halide - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Secondary amine - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organic metal halide - Carboxylic acid derivative - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
• External Descriptors: organic sodium 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)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

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USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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PTGS2 Tclin Cyclooxygenase (1258 Activities)

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

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Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

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Ttr Transthyretin (14 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Rattus norvegicus (775804 Activities)

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RBL-1 (51 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 287 °C
• Molecular Weight: 318.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 316.999 Da
• Monoisotopic Mass: 316.999 Da
• Topological Polar Surface Area: 52.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 332.000
• 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: 2

XLogP3

References

1. Tao Liu, Zhihai Xie, Yu Zhang, Jin Fan, Qing Liu.  (2017)  Preparation of cationic polymeric nanoparticles as an effective adsorbent for removing diclofenac sodium from water.  RSC Advances,  7  (61): (38279-38286).  [PMID:] [10.1039/C7RA06730E]