Rapanone - ≥99% , CAS No.573-40-0

CAS: 573-40-0 Cat. No.: R647915 Formule: C₁₉H₃₀O₄ Poids moléculaire: 322.44 Numéro CE: 675-435-8

GRADE & PURITY ≥99%

Synonyms

MEGxp0_002021 | UNII-SH52PPU72X | 2,5-DIHYDROXY-3-TRIDECYL-2,5-CYCLOHEXADIENE-1,4-DIONE | DTXSID80205915 | ACon1_001259 | FS-6607 | E88591 | 2,5-Dihydroxy-3-tridecylcyclohexa-2,5-diene-1,4-dione | NSC340285 | NSC-340285 | 2-Amino-4-(2-aminophenyl)-4-oxobu

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Rapanone is a natural benzoquinone that is a potent and selective inhibitor of human synovial PLA2.

Specifications

Synonymes

MEGxp0_002021 | UNII-SH52PPU72X | 2,5-DIHYDROXY-3-TRIDECYL-2,5-CYCLOHEXADIENE-1,4-DIONE | DTXSID80205915 | ACon1_001259 | FS-6607 | E88591 | 2,5-Dihydroxy-3-tridecylcyclohexa-2,5-diene-1,4-dione | NSC340285 | NSC-340285 | 2-Amino-4-(2-aminophenyl)-4-oxobu

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

Rapanone is a natural benzoquinone. Rapanone exhibits a broad spectrum of biological actions, including anti-tumor, antioxidant, anti-inflammatory, antibacterial and antiparasitic. Rapanone also is a potent and selective human synovial PLA 2 inhibitor, wi

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

INHIBITOR

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: CCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
• IUPAC Name: 2,5-dihydroxy-3-tridecylcyclohexa-2,5-diene-1,4-dione
• InChIKey: AMKNOBHCKRZHIO-UHFFFAOYSA-N
• INCHI: 1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(22)16(20)14-17(21)19(15)23/h14,20,23H,2-13H2,1H3
• Isomères SMILES: CCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
• Poids moléculaire: 322.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Quinones
              • Level8 Benzoquinones
                • Level9 P-benzoquinones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones - Quinones - Benzoquinones
• Direct Parent: P-benzoquinones
• Alternative Parents: Vinylogous acids Enols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-benzoquinone - Vinylogous acid - Enol - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.
• External Descriptors: p-quinone

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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 25 mg/mL (77.53 mM; ultrasonic and warming and heat to 60°C)
• Point de fusion (°C): 142-145°
• Poids moléculaire: 322.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 322.214 Da
• Monoisotopic Mass: 322.214 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 460.000
• 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: 1