Targocil , CAS No.1200443-21-5

CAS: 1200443-21-5 Cat. No.: T412308 Formula: C₂₁H₂₂ClN₅O₄S Molecular Weight: 475.9 PubChem CID: 44547009

Synonyms

3-(4-Chlorobenzene-1-sulfonyl)-N,N-diethyl-7,8-dimethoxy[1,2,3]triazolo[1,5-a]quinazolin-5-amine | DTXSID80659297 | A16955 | SCHEMBL10123319 | BCP29133 | 3-[(4-Chlorophenyl)sulfonyl]-N,N-diethyl-7,8-dimethoxy[1,2,3]triazolo[1,5-a]quinazolin-5-amine | 1200

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Targocil functions as a bacteriostatic inhibitor of wall teichoic acid (WTA) biosynthesis which inhibits the growth of methicillin-susceptible S. aureus (MSSA) and methicillin-resistant S. aureus (MRSA) with MIC90 of 2 μg/ mL for both MRSA and MSSA.

Specifications

Synonyms

3-(4-Chlorobenzene-1-sulfonyl)-N,N-diethyl-7,8-dimethoxy[1,2,3]triazolo[1,5-a]quinazolin-5-amine | DTXSID80659297 | A16955 | SCHEMBL10123319 | BCP29133 | 3-[(4-Chlorophenyl)sulfonyl]-N,N-diethyl-7,8-dimethoxy[1,2,3]triazolo[1,5-a]quinazolin-5-amine | 1200

Biochemical and Physiological Mechanisms

Targocil functions as a bacteriostatic inhibitor of wall teichoic acid (WTA) biosynthesis which inhibits the growth of methicillin-susceptible S. aureus (MSSA) and methicillin-resistant S. aureus (MRSA) with MIC90 of 2 μg/ mL for both MRSA and MSSA.

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: CCN(CC)C1=NC2=C(N=NN2C3=CC(=C(C=C31)OC)OC)S(=O)(=O)C4=CC=C(C=C4)Cl
• IUPAC Name: 3-(4-chlorophenyl)sulfonyl-N,N-diethyl-7,8-dimethoxytriazolo[1,5-a]quinazolin-5-amine
• InChIKey: TYNZGYMGTTUYKZ-UHFFFAOYSA-N
• INCHI: 1S/C21H22ClN5O4S/c1-5-26(6-2)19-15-11-17(30-3)18(31-4)12-16(15)27-20(23-19)21(24-25-27)32(28,29)14-9-7-13(22)8-10-14/h7-12H,5-6H2,1-4H3
• Isomeric SMILES: CCN(CC)C1=NC2=C(N=NN2C3=CC(=C(C=C31)OC)OC)S(=O)(=O)C4=CC=C(C=C4)Cl
• PubChem CID: 44547009
• Molecular Weight: 475.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Triazolopyrimidines Benzenesulfonyl compounds Anisoles Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Imidolactams Aryl chlorides Triazoles Sulfones Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Benzenesulfonyl group - Triazolopyrimidine - Anisole - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - 1,2,3-triazole - Triazole - Sulfonyl - Sulfone - Azole - Heteroaromatic compound - Tertiary amine - Azacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine 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

Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 475.900 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 475.108 Da
• Monoisotopic Mass: 475.108 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 728.000
• 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