R162 - ≥98% , CAS No.64302-87-0

CAS: 64302-87-0 Cat. No.: R304260 분자식: C₁₇H₁₂O₃ 분자량: 264.28 PubChem CID: 4412951

등급 & 순도 ≥98%

Synonyms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

사양

동의어

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

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

504763010

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

PubChem CID

4412951

UN 번호

3077

포장 그룹

III

분자량

264.28

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 13.21, Max Conc. mM: 50
• 분자량: 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

자주 묻는 질문

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.