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

CAS: 1011301-27-1 Cat. No.: T412772 Formula: C₁₈H₂₁N₃OS Peso molecolare: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Proprietà del prodotto

• ALogP: 4.42
• Conteggio HBD: 3
• Legame rotabile: 5

Nomi e identificatori

• Pubchem Sid: 504769816
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769816
• Sorrisi canonici: 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)
• Isomeri SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N
• PubChem CID: 24772097
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (non umani)

Vaccinia virus (4609 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 65 mg/mL (198.5 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/mL) Solubilità massima: 65
• DMSO (mM) Solubilità massima: 198.509650623015
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 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

Domande frequenti

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.