Procaspase-IN-5 , CAS No.1489285-17-7

CAS: 1489285-17-7 Cat. No.: P1425158 PubChem CID: 72164414

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Procaspase-IN-5 is a human DNA polymerase λ inhibitor.Procaspase-IN-5 has DNA polymerization function and TdT function with an IC 50 value of 5.9 μM and 4.5 μM, respectively. Procaspase-IN-5 can be used for the research of cancer.

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: CC1=CC=CC=C1SC2=C(C=C(C=C2)C=C3C(=O)NC(=S)S3)[N+](=O)[O-]
• IUPAC Name: (5Z)-5-[[4-(2-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• InChIKey: SHKDXDWJERWCHI-DHDCSXOGSA-N
• INCHI: 1S/C17H12N2O3S3/c1-10-4-2-3-5-13(10)24-14-7-6-11(8-12(14)19(21)22)9-15-16(20)18-17(23)25-15/h2-9H,1H3,(H,18,20,23)/b15-9-
• Isomeric SMILES: CC1=CC=CC=C1SC2=C(C=C(C=C2)/C=C\3/C(=O)NC(=S)S3)[N+](=O)[O-]
• PubChem CID: 72164414

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Nitrobenzenes Thiophenol ethers Nitroaromatic compounds Toluenes Thiazolidinethiones Cyclic dithiocarbamic acid esters Azacyclic compounds Carboxylic acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diarylthioether - Nitrobenzene - Nitroaromatic compound - Thiophenol ether - Toluene - Monocyclic benzene moiety - Thiazolidinethione - Benzenoid - Cyclic dithiocarbamic acid ester - Thiazolidine - Dithiocarbamic acid ester - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Organic oxoazanium - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• 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