Rapanone - ≥99% , CAS No.573-40-0

CAS: 573-40-0 Cat. No.: R647915 Summenformel: C₁₉H₃₀O₄ Molekulargewicht: 322.44 EG-Nummer: 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

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: CCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
• Molekulargewicht: 322.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Cyclic ketones
            • Ebene7 Quinones
              • Ebene8 Benzoquinones
                • Ebene9 P-benzoquinones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 25 mg/mL (77.53 mM; ultrasonic and warming and heat to 60°C)
• Schmelzpunkt (°C): 142-145°
• Molekulargewicht: 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