TH34 - ≥98% , CAS No.2196203-96-8

CAS: 2196203-96-8 Cat. No.: T414170 Fórmula: C₁₅H₁₆N₂O₂ Peso molecular: 256.3 PubChem CID: 134159676

GRAU & PUREZA ≥98%

Synonyms

3-(Benzylamino)-N-hydroxy-4-methylbenzamide | Benzamide | N-​hydroxy-​4-​methyl-​3-​[(phenylmethyl)​amino]​

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

TH34 is aHDACinhibitor that shows pronounced selectivity for HDACs 6, 8 and 10 over HDACs 1, 2 and 3. In a NanoBRET assay, TH34 strongly binds HDAC6, 8 and 10 with low-micromolar IC50 concentrations (HDAC6: 4.6 µM, HDAC8: 1.9 µM, HDAC10: 7.7 µM).

Targets

HDAC8 ; HDAC6 ; HDAC10 1.9 μM; 4.6 μM; 7.7 μM

In vitro

TH34 strongly binds to HDAC6, 8 and 10 with low-micromolar IC50 concentrations (HDAC6: 4.6 µM, HDAC8: 1.9 µM, HDAC10: 7.7 µM), and shows no substantial affinity to HDAC2 at concentrations up to 50 µM. Its treatment induces hyperacetylation of tubulin and SMC3. TH34 effectively and selectively eliminates high-grade neuroblastoma cells while sparing non-transformed human cells. In neuroblastoma cell lines as well as primary neuroblastoma cells, it markedly induces DNA damage, followed by differentiation and G2/M phase cell cycle arrest at later timepoints, eventually leading to cell death.

Cell Research(from reference)

Cell lines：SK-N-BE(2)-C cells 

Concentrations：10 μM 

Incubation Time：48 h 

Especificações

Sinónimos

3-(Benzylamino)-N-hydroxy-4-methylbenzamide | Benzamide | N-​hydroxy-​4-​methyl-​3-​[(phenylmethyl)​amino]​

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

TH34 is a HDAC inhibitor that shows pronounced selectivity for HDACs 6, 8 and 10 over HDACs 1, 2 and 3. In a NanoBRET assay, TH34 strongly binds HDAC6, 8 and 10 with low-micromolar IC50 concentrations (HDAC6: 4.6 µM, HDAC8: 1.9 µM, HDAC10: 7.7 µM).

Condições de armazenamento de armazenamento

Protected from light,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

≥98%

Propriedades do produto

ALogP

2.723

Contagem HBD

2

Ligação rotativa

4

Nomes e identificadores

Pubchem Sid

504773148

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773148

Sorrisos canónicos

CC1=C(C=C(C=C1)C(=O)NO)NCC2=CC=CC=C2

IUPAC Name

3-(benzylamino)-N-hydroxy-4-methylbenzamide

InChIKey

PZBARTUEWCQNSN-UHFFFAOYSA-N

INCHI

1S/C15H16N2O2/c1-11-7-8-13(15(18)17-19)9-14(11)16-10-12-5-3-2-4-6-12/h2-9,16,19H,10H2,1H3,(H,17,18)

SMILES isoméricas

CC1=C(C=C(C=C1)C(=O)NO)NCC2=CC=CC=C2

PubChem CID

134159676

Peso molecular

256.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzamines
• Alternative Parents: Aminobenzoic acids and derivatives p-Toluamides Phenylalkylamines Benzylamines Benzoyl derivatives Aniline and substituted anilines Aminotoluenes Secondary alkylarylamines Hydroxamic acids Amino acids and derivatives Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylbenzamine - Aminobenzoic acid or derivatives - P-toluamide - Toluamide - Benzoic acid or derivatives - Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Benzylamine - Benzoyl - Aralkylamine - Toluene - Secondary aliphatic/aromatic amine - Hydroxamic acid - Amino acid or derivatives - Secondary amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
• 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)

HDAC8 Tclin Histone deacetylase 8 (1 Activities)

Discover Target: HDAC8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HDAC8 Tclin Histone deacetylase 8 (4516 Activities)

Discover Target: HDAC8

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

HEK293 (82097 Activities)

Explore this target

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

Alvos associados (não humanos)

Hdac1 Histone deacetylase 1 (93 Activities)

Discover Target: Hdac1

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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: 51 mg/mL (198.98 mM); Ethanol: 15 mg/mL (58.52 mM); Water: Insoluble
• Sensibilidade: light sensitive
• DMSO (mg/mL) Solubilidade máxima: 51
• DMSO (mM) Solubilidade máxima: 198.985563792431
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 256.300 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 256.121 Da
• Monoisotopic Mass: 256.121 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 290.000
• 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 ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 2196203-96-8, the molecular formula is C15H16N2O2, and the molecular weight is 256.3 g/mol. InChIKey PZBARTUEWCQNSN-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.