Protohypericin - ≥95% , CAS No.548-03-8

CAS: 548-03-8 Cat. No.: P651906 分子式: C₃₀H₁₈O₈ 分子量: 506.46 EC番号: 686-156-6 PubChem CID: 164660

グレード＆純度 ≥95%

Synonyms

Dibenzo(a,o)perylene-7,16-dione, 1,3,4,6,8,15-hexahydroxy-10,11-dimethyl- | HY-N4139 | 7,11,13,16,18,22-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.1^{2,10}.0^{3,8}.0^{19,27}.0^{21,26}.0^{14,28}]octacosa-1,3,5,7,10,12,14(28),15,17,19(27),21,23,25-tridecae

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Protohypericin is a naturally occurring naphthodianthrone derived from plant Hypericum perforatum. Radioiodinated protohypericin is used in Tumor necrosis targeted radiotherapy.

Form:Solid

仕様

同義語

Dibenzo(a,o)perylene-7,16-dione, 1,3,4,6,8,15-hexahydroxy-10,11-dimethyl- | HY-N4139 | 7,11,13,16,18,22-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.1^{2,10}.0^{3,8}.0^{19,27}.0^{21,26}.0^{14,28}]octacosa-1,3,5,7,10,12,14(28),15,17,19(27),21,23,25-tridecae

仕様と純度

≥95%

生化学的・生理学的メカニズム

Protohypericin is a naturally occurring naphthodianthrone derived from plant Hypericum perforatum . Radioiodinated protohypericin is used in Tumor necrosis targeted radiotherapy.

保管条件

Protected from light,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。

純度

≥95%

名前と識別子

カノニカル・スマイル

CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C(=C5C6=CC(=CC(=O)C6=C(C7=C(C=C(C4=C57)O)O)O)C)C2=C1)O)O)O

IUPAC Name

9,11,13,16,18,20-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,8,10,12,14(28),15(27),16,18,20,23,25-tridecaene-7,22-dione

InChIKey

DPKVSJZTYNGFAW-UHFFFAOYSA-N

INCHI

1S/C30H18O8/c1-9-3-11-19(13(31)5-9)29(37)25-17(35)7-15(33)23-24-16(34)8-18(36)26-28(24)22(21(11)27(23)25)12-4-10(2)6-14(32)20(12)30(26)38/h3-8,33-38H,1-2H3

異性体SMILES

CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C(=C5C6=CC(=CC(=O)C6=C(C7=C(C=C(C4=C57)O)O)O)C)C2=C1)O)O)O

代替CAS番号

548-03-8

PubChem CID

164660

MeSH用語

protohypericin

分子量

506.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenanthrenes and derivatives
      • Subclass Phenanthrols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenanthrenes and derivatives
• Subclass: Phenanthrols
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrols
• Alternative Parents: Anthracenes Naphthols and derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrol - Anthracene - 1-naphthol - 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenanthrols. These are compounds containing a phenanthrene (or its hydrogenated derivative) to which a hydroxyl group is attached.
• 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : 125 mg/mL (246.81 mM; Need ultrasonic)
• 分子量: 506.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 506.1 Da
• Monoisotopic Mass: 506.1 Da
• Topological Polar Surface Area: 156.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 1270.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 548-03-8, the molecular formula is C30H18O8, and the molecular weight is 506.46 g/mol. InChIKey DPKVSJZTYNGFAW-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.