Dehydroaltenusin , CAS No.31186-13-7

CAS: 31186-13-7 Cat. No.: D1417178 PubChem CID: 14824648

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Overview

Dehydroaltenusin is a small molecule selective inhibitor of eukaryotic DNA polymerase α , a type of antibiotic produced by a fungus with an IC 50 value of 0.68 μM. The inhibitory mode of action of dehydroaltenusin against mammalian pol α activity is competitive with respect to the DNA template primer ( K i =0.23 µM) and non-competitive with respect to the 2'-deoxyribonucleoside 5'-triphosphate substrate ( K i =0.18 µM). Dehydroaltenusin arrests the cancer cell cycle at the S-phase and triggers apoptosis. Dehydroaltenusin possesses anti-tumor activity against human adenocarcinoma tumor in vivo.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC12C=C(C(=O)C=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O
• IUPAC Name: (4aS)-3,7-dihydroxy-9-methoxy-4a-methylbenzo[c]chromene-2,6-dione
• InChIKey: YWYZLBQRCUAQAV-HNNXBMFYSA-N
• INCHI: 1S/C15H12O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-6,17-18H,1-2H3/t15-/m0/s1
• Isomeric SMILES: C[C@]12C=C(C(=O)C=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O
• Alternate CAS: 31186-13-7
• PubChem CID: 14824648
• MeSH Entry Terms: 3,7-dihydroxy-9-methoxy-4a-methyl-4aH-benzo(c)chromene-2,6-dione;dehydroaltenusin

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 2-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 2-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-benzopyrans
• Alternative Parents: Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Lactones Cyclic ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Enols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-benzopyran - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Vinylogous acid - Carboxylic acid ester - Ketone - Cyclic ketone - Lactone - Carboxylic acid derivative - Enol - Ether - Oxacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position.
• 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