Loxoprofen sodium - ≥98% , CAS No.80382-23-6

CAS: 80382-23-6 Cat. No.: L338874 Summenformel: C₁₅H₁₇O₃Na Molekulargewicht: 268.286

GRADE & PURITY ≥98%

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 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488200382
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200382
• Kanonisches Lächeln: 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
• Isomere SMILES: CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].[Na+]
• UN-Nummer: 2811
• Verpackungsgruppe: III
• Molekulargewicht: 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
    • Klasse Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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
• Beschreibung: 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

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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)

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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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Cavia porcellus (23802 Activities)

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Rattus norvegicus (775804 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 202~206° C
• Molekulargewicht: 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

Referenzen

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]