TH34 - ≥98% , CAS No.2196203-96-8

CAS: 2196203-96-8 Cat. No.: T414170 分子式: C₁₅H₁₆N₂O₂ 分子量: 256.3 PubChem CID: 134159676

グレード＆純度 ≥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

概要

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 

仕様

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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).

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

製品の性質

ALogP

2.723

HBD数

2

回転可能な結合

4

名前と識別子

パブケム・シド

504773148

パブケム・シド・ウル

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

カノニカル・スマイル

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)

異性体SMILES

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

PubChem CID

134159676

分子量

256.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 51 mg/mL (198.98 mM); Ethanol: 15 mg/mL (58.52 mM); Water: Insoluble
• 感度: light sensitive
• DMSO（mg / mL） 最大溶解度: 51
• DMSO（mM） 最大溶解度: 198.985563792431
• 水（mg / mL） 最大溶解度: ＜1
• 分子量: 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

よくある質問

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.