Targocil , CAS No.1200443-21-5

CAS: 1200443-21-5 Cat. No.: T412308 분자식: C₂₁H₂₂ClN₅O₄S 분자량: 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

개요

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

동의어

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

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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이름과 식별자

• 정식 스마일: 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
• 이성체 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
• 분자량: 475.9

Taxonomic Classification

Taxonomy Tree

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

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

관련 대상(비인간)

Staphylococcus aureus (210822 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 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