R162 - ≥98% , CAS No.64302-87-0

CAS: 64302-87-0 Cat. No.: R304260 分子式: C₁₇H₁₂O₃ 分子量: 264.28 PubChem CID: 4412951

グレード＆純度 ≥98%

Synonyms

1-Hydroxy-2-(2-propen-1-yl)-9,10-anthracenedione

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

仕様

同義語

1-Hydroxy-2-(2-propen-1-yl)-9,10-anthracenedione

仕様と純度

≥98%

生化学的・生理学的メカニズム

Glutamate dehydrogenase (GHD1) inhibitor (IC50= 23 μM). Decreases fumarate and ROS levels, attenuates glutathione peroxidase levels and inhibits cell proliferation in cancer cell lines. Attenuates viability of a range of cancer cell lines.

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。

純度

≥98%

名前と識別子

パブケム・シド

504763010

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504763010

カノニカル・スマイル

C=CCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O

IUPAC Name

1-hydroxy-2-prop-2-enylanthracene-9,10-dione

InChIKey

IMUBGIOLZQTIGI-UHFFFAOYSA-N

INCHI

1S/C17H12O3/c1-2-5-10-8-9-13-14(15(10)18)17(20)12-7-4-3-6-11(12)16(13)19/h2-4,6-9,18H,1,5H2

異性体SMILES

C=CCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O

PubChem CID

4412951

UN番号

3077

包装グループ

III

分子量

264.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Ketone - 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 anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• External Descriptors: hydroxyanthraquinones

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

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 13.21, Max Conc. mM: 50
• 分子量: 264.270 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 264.079 Da
• Monoisotopic Mass: 264.079 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 428.000
• 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 ≥98% purity (chemical assay). 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 64302-87-0, the molecular formula is C17H12O3, and the molecular weight is 264.28 g/mol. InChIKey IMUBGIOLZQTIGI-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.