(±)-CPSI 1306 - ≥98%(HPLC) , CAS No.1309793-47-2

CAS: 1309793-47-2 Cat. No.: C286645 Formule: C₁₅H₁₆F₂N₂O₃ Poids moléculaire: 310.3

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-[3-(3-(2,4-Difluorophenyl)-4,5-dihydro-5-isoxazolyl]-1-(4-morpholinyl)ethanone | (S)-2-(3-(2,4-difluorophenyl)-4,5-dihydroisoxazol-5-yl)-1-morpholinoethanone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

2-[3-(3-(2,4-Difluorophenyl)-4,5-dihydro-5-isoxazolyl]-1-(4-morpholinyl)ethanone | (S)-2-(3-(2,4-difluorophenyl)-4,5-dihydroisoxazol-5-yl)-1-morpholinoethanone

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Reported to be a macrophage inhibitory factor (MIF) inhibitor.This product is racemic.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

ANTAGONIST

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 504771766
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771766
• Sourires canoniques: C1COCCN1C(=O)CC2CC(=NO2)C3=C(C=C(C=C3)F)F
• IUPAC Name: 2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
• InChIKey: GUWOSEVHCSNYFK-UHFFFAOYSA-N
• INCHI: 1S/C15H16F2N2O3/c16-10-1-2-12(13(17)7-10)14-8-11(22-18-14)9-15(20)19-3-5-21-6-4-19/h1-2,7,11H,3-6,8-9H2
• Isomères SMILES: C1COCCN1C(=O)CC2CC(=NO2)C3=C(C=C(C=C3)F)F
• Poids moléculaire: 310.3
• Reaxy-Rn: 27324319
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27324319&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Morpholines Aryl fluorides Tertiary carboxylic acid amides Isoxazolines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Fluorobenzene - Aryl fluoride - Aryl halide - Morpholine - Oxazinane - Isoxazoline - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• External Descriptors: Not available

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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 31.03, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 3.1, Max Conc. mM: 10
• Poids moléculaire: 310.300 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 310.113 Da
• Monoisotopic Mass: 310.113 Da
• Topological Polar Surface Area: 51.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 441.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1309793-47-2, the molecular formula is C15H16F2N2O3, and the molecular weight is 310.3 g/mol. InChIKey GUWOSEVHCSNYFK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.