Thiocarlide (Isoxyl) - ≥98% , CAS No.910-86-1

CAS: 910-86-1 Cat. No.: T701433 Fórmula: C₂₃H₃₂N₂O₂S Peso molecular: 400.58

GRADE & PURITY Moligand™, ≥98%

Synonyms

4,4'-Bis(isopentyloxy)thiocarbanilide | 4,4'-Diisoamyloxythiocarbanilide | 1,3-bis[4-(3-methylbutoxy)phenyl]thiourea

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Visão geral

Thiocarlide is a potent antibacterial agent. Thiocarlide inhibits Mycobacterium tuberculosis H37Rv, Mycobacterium bovisBCG, Mycobacterium avium, and Mycobacterium aurum A+ with MICs of 2.5, 0.5, 2.0 and 2.0 μg/mL, respectively.

Specifications

Sinónimos

4,4'-Bis(isopentyloxy)thiocarbanilide | 4,4'-Diisoamyloxythiocarbanilide | 1,3-bis[4-(3-methylbutoxy)phenyl]thiourea

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged,Desiccated

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥98%

Product Line

T701433-5mg

Propriedades do produto

ALogP

6.4

Nomes e identificadores

Sorrisos canónicos

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCCC(C)C

IUPAC Name

1,3-bis[4-(3-methylbutoxy)phenyl]thiourea

InChIKey

BWBONKHPVHMQHE-UHFFFAOYSA-N

INCHI

1S/C23H32N2O2S/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28)

SMILES isoméricas

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCCC(C)C

Peso molecular

400.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass N-phenylthioureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylthioureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylthioureas
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Thioureas Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylthiourea - Phenoxy compound - Phenol ether - Alkyl aryl ether - Thiourea - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
• 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

Alvos associados (humanos)

MAOA Tclin Monoamine oxidase A (11911 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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EPHX2 Tchem Epoxide hydratase (3844 Activities)

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HepG2 (196354 Activities)

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Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Enterococcus faecium (13803 Activities)

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Mycobacterium avium (4587 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Enterococcus faecalis (29875 Activities)

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Mycobacterium tuberculosis variant bovis (1746 Activities)

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Mycolicibacterium smegmatis (8003 Activities)

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Vero (26788 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Bacillus anthracis (2936 Activities)

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Mycolicibacterium aurum (354 Activities)

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Mycobacterium tuberculosis variant bovis BCG (1626 Activities)

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Epoxide hydrolase (46 Activities)

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Hydrolase, alpha/beta hydrolase fold family (42 Activities)

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SARS-CoV-2 (38078 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Peso molecular: 400.600 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 400.218 Da
• Monoisotopic Mass: 400.218 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 390.000
• 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

Perguntas frequentes

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 room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 910-86-1, the molecular formula is C23H32N2O2S, and the molecular weight is 400.6 g/mol. InChIKey BWBONKHPVHMQHE-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.