Loxoprofen sodium - 10mM in Water , CAS No.80382-23-6

CAS: 80382-23-6 Cat. No.: L426080 Molecular Weight: 268.286

GRADE & PURITY 10mM in Water

Synonyms

BL164648 | Loxoprofen sodium | CCG-101024 | Q-201325 | AKOS015994737 | Naptalam, analytical standard | LOXOPROFEN SODIUM HYDRATE [JAN] | UNII-NDC2M7399S | WORCCYVLMMTGFR-UHFFFAOYSA-M | N-((Trichloromethyl)mercapto)-4-cyclohexene-1,2-dicarboximide | HMS205

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Product Application
Loxoprofen sodium is a non-steroidal anti-inflammatory agent with analgesic and anti-pyretic properties. Loxoprofen sodium is a nonselective COX inhibitor with IC50s of 6.5 and 13.5 μM for COX-1 and COX-2, respectively.

Specifications

Synonyms

BL164648 | Loxoprofen sodium | CCG-101024 | Q-201325 | AKOS015994737 | Naptalam, analytical standard | LOXOPROFEN SODIUM HYDRATE [JAN] | UNII-NDC2M7399S | WORCCYVLMMTGFR-UHFFFAOYSA-M | N-((Trichloromethyl)mercapto)-4-cyclohexene-1, 2-dicarboximide | HMS205

Specifications & Purity

10mM in Water

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: CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].[Na+]
• IUPAC Name: sodium;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate
• InChIKey: WORCCYVLMMTGFR-UHFFFAOYSA-M
• INCHI: 1S/C15H18O3.Na/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16;/h5-8,10,13H,2-4,9H2,1H3,(H,17,18);/q;+1/p-1
• Isomeric SMILES: CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].[Na+]
• UN Number: 2811
• Packing Group: III
• Molecular Weight: 268.286
• Reaxy-Rn: 5686164
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5686164&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Monocyclic monoterpenoids Aromatic monoterpenoids Benzene and substituted derivatives Cyclic ketones Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Monocyclic benzene moiety - Benzenoid - Carboxylic acid salt - Ketone - Cyclic ketone - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Organic sodium salt - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• 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)

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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RAN Tchem GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 (21853 Activities)

Discover Target: RAN

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Associated Targets(non-human)

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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Cavia porcellus (23802 Activities)

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Rattus norvegicus (775804 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 202~206° C
• Molecular Weight: 268.280 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 268.108 Da
• Monoisotopic Mass: 268.108 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 321.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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. Meng Yan, Li Zhu, Shuai Wu, Yu Cao, Nianlian Mou, Qingjia Chi, Guixue Wang, Yuan Zhong, Wei Wu.  (2022)  ROS responsive polydopamine nanoparticles to relieve oxidative stress and inflammation for ameliorating acute inflammatory bowel.  Biomaterials Advances,      [PMID:36191534] [10.1016/j.bioadv.2022.213126]