Tenovin-3 - ≥99% , CAS No.1011301-27-1

CAS: 1011301-27-1 Cat. No.: T412772 Fórmula: C₁₈H₂₁N₃OS Peso molecular: 327.44 PubChem CID: 24772097

GRADE & PURITY ≥99%

Synonyms

N-{[(4-aminophenyl)amino]carbonothioyl}-4-tert-butylbenzamide | 1-(4-Amino-phenyl)-3-(4-tert-butyl-benzoyl)-thiourea | DTXSID10647243 | Tenovin3 | Tenovin-3 | AKOS025122815 | A13727 | BCP08754 | N-[(4-aminophenyl)carbamothioyl]-4-tert-butylbenzamide | J-6

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Tenovin-3 Tenovin-3 is an inhibitor of SIRT2 . Tenovin-3 is able to increase p53 levels in MCF-7 cells.

Targets

SIRT2 ; p53

Specifications

Sinónimos

N-{[(4-aminophenyl)amino]carbonothioyl}-4-tert-butylbenzamide | 1-(4-Amino-phenyl)-3-(4-tert-butyl-benzoyl)-thiourea | DTXSID10647243 | Tenovin3 | Tenovin-3 | AKOS025122815 | A13727 | BCP08754 | N-[(4-aminophenyl)carbamothioyl]-4-tert-butylbenzamide | J-6

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Tenovin-3 is an inhibitor of SIRT2. Tenovin-3 is able to increase p53 levels in MCF-7 cells.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Pureza

≥99%

Propriedades do produto

ALogP

4.42

Contagem HBD

3

Ligação rotativa

5

Nomes e identificadores

Pubchem Sid

504769816

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769816

Sorrisos canónicos

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N

IUPAC Name

N-[(4-aminophenyl)carbamothioyl]-4-tert-butylbenzamide

InChIKey

NLAXTZPUTNGRDU-UHFFFAOYSA-N

INCHI

1S/C18H21N3OS/c1-18(2,3)13-6-4-12(5-7-13)16(22)21-17(23)20-15-10-8-14(19)9-11-15/h4-11H,19H2,1-3H3,(H2,20,21,22,23)

SMILES isoméricas

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N

PubChem CID

24772097

Peso molecular

327.44

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-acyl-phenylthioureas
• Alternative Parents: Phenylpropanes Benzoic acids and derivatives Benzoyl derivatives Aniline and substituted anilines Thioureas Amino acids and derivatives Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-acyl-phenylthiourea - Benzoic acid or derivatives - Phenylpropane - Benzoyl - Aniline or substituted anilines - Thiourea - Amino acid or derivatives - Carboxylic acid derivative - Primary amine - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
• 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 (não humanos)

Vaccinia virus (4609 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 65 mg/mL (198.5 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/mL) Solubilidade máxima: 65
• DMSO (mM) Solubilidade máxima: 198.509650623015
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 327.400 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 327.141 Da
• Monoisotopic Mass: 327.141 Da
• Topological Polar Surface Area: 99.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 416.000
• 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 ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1011301-27-1, the molecular formula is C18H21N3OS, and the molecular weight is 327.44 g/mol. InChIKey NLAXTZPUTNGRDU-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.