Rapanone - ≥99% , CAS No.573-40-0

CAS: 573-40-0 Cat. No.: R647915 分子式: C₁₉H₃₀O₄ 分子量: 322.44 EC番号: 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

概要

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

Specifications

同義語

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

仕様と純度

≥99%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥99%

名前と識別子

• カノニカル・スマイル: 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
• 異性体SMILES: CCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
• 分子量: 322.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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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作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : 25 mg/mL (77.53 mM; ultrasonic and warming and heat to 60°C)
• 融点（°C）: 142-145°
• 分子量: 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