Tenovin-6 - ≥98% , CAS No.1011557-82-6

CAS: 1011557-82-6 Cat. No.: T338048 Molecular Weight: 454.6 PubChem CID: 24772043

GRADE & PURITY ≥98%

Synonyms

1011557-82-6 | SR-01000946351 | EX-A350 | AS-16762 | 4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoicacid | SR-01000946351-1 | 4-tert-butyl-N-(4-(5-(dimethylamino)pentanamido)phenylcarbamothioyl)benzamide | AC-32966 | Q27147321 | NCGC00094836-01 | Tenovin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Tenovin-6 is the water soluble analog of Tenovin-1 and acts as a potent SIRT1 and SIRT2 inhibitor as well as p53 activator. SIRT1 and SIRT2 are protein-deacetylases that belong to the NAD|+|-dependent class III histone deacetylases. Although the function of sirtuins in humans is not entirely known, in yeast, they have been shown to regulate epigenetic gene expression. Studies show that tenovin-6 increases p53 levels more than tenovin-1 and is also more toxic to yeast. Tenovin-6 has also been shown to inhibit SIRT3.

Specifications

Synonyms

1011557-82-6 | SR-01000946351 | EX-A350 | AS-16762 | 4-(3-pyridin-3-yl-1, 2, 4-oxadiazol-5-yl)butanoicacid | SR-01000946351-1 | 4-tert-butyl-N-(4-(5-(dimethylamino)pentanamido)phenylcarbamothioyl)benzamide | AC-32966 | Q27147321 | NCGC00094836-01 | Tenovin

Specifications & Purity

≥98%

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.

Purity

≥98%

Product Properties

• pKa: pKₐ: 9.11 (Predicted), pKₐ: 9.64 (Predicted)

Names and Identifiers

• Pubchem Sid: 504769815
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769815
• Canonical Smiles: CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C
• IUPAC Name: 4-tert-butyl-N-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide
• InChIKey: BVJSXSQRIUSRCO-UHFFFAOYSA-N
• INCHI: 1S/C25H34N4O2S/c1-25(2,3)19-11-9-18(10-12-19)23(31)28-24(32)27-21-15-13-20(14-16-21)26-22(30)8-6-7-17-29(4)5/h9-16H,6-8,17H2,1-5H3,(H,26,30)(H2,27,28,31,32)
• Isomeric SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C
• PubChem CID: 24772043
• Molecular Weight: 454.6

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylthioureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acyl-phenylthioureas
• Alternative Parents: Phenylpropanes Benzoic acids and derivatives Anilides N-arylamides Benzoyl derivatives Fatty amides Trialkylamines Thioureas Secondary carboxylic acid amides Amino acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-acyl-phenylthiourea - Benzoic acid or derivatives - Phenylpropane - Anilide - Benzoyl - N-arylamide - Fatty amide - Fatty acyl - Tertiary aliphatic amine - Thiourea - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Amine - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: 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: tertiary amino compound - monocarboxylic acid amide - thioureas

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(Human)

SIRT3 Tchem NAD-dependent deacetylase sirtuin 3 (1285 Activities)

Discover Target: SIRT3

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

SIRT2 Tchem NAD-dependent deacetylase sirtuin 2 (3979 Activities)

Discover Target: SIRT2

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

SIRT1 Tchem NAD-dependent deacetylase sirtuin 1 (3505 Activities)

Discover Target: SIRT1

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

SIRT6 Tchem NAD-dependent protein deacetylase sirtuin-6 (671 Activities)

Discover Target: SIRT6

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Saccharomyces cerevisiae (19171 Activities)

Explore this target

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

HST2 NAD-dependent deacetylase HST2 (97 Activities)

Discover Target: HST2

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol (~1 mg/ml), and DMSO (~20 mg/ml).
• Refractive Index: n20D1.62 (Predicted)
• Molecular Weight: 454.600 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 454.24 Da
• Monoisotopic Mass: 454.24 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 616.000
• 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