Fenoprofen calcium dihydrate - ≥97% , CAS No.53746-45-5

CAS: 53746-45-5 Cat. No.: F276213 Peso molecular: 558.64 Número EC: 628-664-2

GRADE & PURITY ≥97%

Synonyms

(+-)-alpha-Methyl-3-phenoxybenzeneacetic acid calcium salt dihydrate | calcium 2-(3-phenoxyphenyl)propionate dihydrate | FENOPROFEN CALCIUM [ORANGE BOOK] | DTXCID00820422 | Fenoprofen calcium | Tox21_110785_1 | 0X2CW1QABJ | Fepron | Feprona | calcium alph

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

Store at Room Temperature. The product can be stored for up to 12 months.

Specifications

Sinónimos

(+-)-alpha-Methyl-3-phenoxybenzeneacetic acid calcium salt dihydrate | calcium 2-(3-phenoxyphenyl)propionate dihydrate | FENOPROFEN CALCIUM [ORANGE BOOK] | DTXCID00820422 | Fenoprofen calcium | Tox21_110785_1 | 0X2CW1QABJ | Fepron | Feprona | calcium alph

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

NSAID and antiarthritic agent. Blocks sodium-coupled monocarboxylate transporter as a non-transportable substrate. Inhibits proliferation in cancer cell lines. Anti-inflammatory and antinociceptive effects in vivo. Orally active.

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Nota

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. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].O.O.[Ca+2]
• IUPAC Name: calcium;2-(3-phenoxyphenyl)propanoate;dihydrate
• InChIKey: LZPBLUATTGKZBH-UHFFFAOYSA-L
• INCHI: 1S/2C15H14O3.Ca.2H2O/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;;;/h2*2-11H,1H3,(H,16,17);;2*1H2/q;;+2;;/p-2
• Isómeros SMILES: CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].O.O.[Ca+2]
• Peso molecular: 558.64
• Reaxy-Rn: 7614244
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7614244&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Phenylpropanoic acids Diarylethers Phenoxy compounds Phenol ethers Carboxylic acid salts Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Diphenylether - Diaryl ether - 2-phenylpropanoic-acid - Phenoxy compound - Phenol ether - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Organic calcium salt - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic salt - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: hydrate

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

Objetivos asociados (humanos)

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol to 25 mM
• Sensibilidad: Moisture sensitive.
• Peso molecular: 558.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 558.157 Da
• Monoisotopic Mass: 558.157 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 265.000
• 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: 5

XLogP3