TH1834 - ≥99% , CAS No.2108830-08-4

CAS: 2108830-08-4 Cat. No.: T646743 Summenformel: C₃₃H₄₀N₆O₃ Molekulargewicht: 568.71 PubChem CID: 91826512

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

TH1834 is a specific Tip60 (KAT5) histone acetyltransferase (HAT) inhibitor. TH1834 induces apoptosis and increases DNA damage in breast cancer . TH1834 does not affect the activity of related histone acetyltransferase MOF. Anticancer activity

In Vitro

TH1834 (0-500 μM; 1 hour; MCF7 cells) treatment significantly reduces the viability of MCF7 cells. ?\nTH1834 (0-500 μM; 1 hour; MCF7 cells) treatment significantly increases cytotoxicity in MCF7 cells. ?\nTH1834 (500 μM; 1 hour; MCF7 cells) treatment induces caspase 3 activation in MCF7 cells. ?\nTH1834 significantly inhibits Tip60 activity in vitro and treating cells with TH1834 results in apoptosis and increased unrepaired DNA damage in breast cancer. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: MCF7 cells Concentration: 0 μM, 0.5 μM, 5 μM, 50 μM and 500 μM Incubation Time: 1 hour Result: Significantly reduced the viability of MCF7 cells. Cell Cytotoxicity AssayCell Line: MCF7 cells Concentration: 0 μM, 0.5 μM, 5 μM, 50 μM and 500 μM Incubation Time: 1 hour Result: Highly significant increase in cytotoxicity at all concentrations used. Western Blot AnalysisCell Line: MCF7 cells Concentration: 500 μM Incubation Time: 1 hour Result: Marked caspase 3 activation was observed in MCF7 cells in an independent assay.

Form:Solid

IC50& Target:TIP60

Specifications

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

TH1834 is a specific Tip60 (KAT5) histone acetyltransferase (HAT) inhibitor. TH1834 induces apoptosis and increases DNA damage in breast cancer . TH1834 does not affect the activity of related histone acetyltransferase MOF. Anticancer activity.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: C1CCN(C1)CC2=CC=C(C=C2)OCCCCN(CCC3=CC=CC=C3)CC4=CC=C(C=C4)C5=NN(N=N5)CC(=O)O
• IUPAC Name: 2-[5-[4-[[2-phenylethyl-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]butyl]amino]methyl]phenyl]tetrazol-2-yl]acetic acid
• InChIKey: XERATECPNBWJFP-UHFFFAOYSA-N
• INCHI: 1S/C33H40N6O3/c40-32(41)26-39-35-33(34-36-39)30-14-10-28(11-15-30)25-38(22-18-27-8-2-1-3-9-27)21-6-7-23-42-31-16-12-29(13-17-31)24-37-19-4-5-20-37/h1-3,8-17H,4-7,18-26H2,(H,40,41)
• Isomere SMILES: C1CCN(C1)CC2=CC=C(C=C2)OCCCCN(CCC3=CC=CC=C3)CC4=CC=C(C=C4)C5=NN(N=N5)CC(=O)O
• PubChem CID: 91826512
• Molekulargewicht: 568.71

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Tetrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyltetrazoles and derivatives
• Alternative Parents: Alpha amino acids and derivatives Phenethylamines Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyltetrazole - Alpha-amino acid or derivatives - Phenethylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - Benzylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Amino acid or derivatives - Amino acid - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 10 mg/mL (17.58 mM; ultrasonic and warming and heat to 60°C)
• Molekulargewicht: 568.700 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 16
• Exact Mass: 568.316 Da
• Monoisotopic Mass: 568.316 Da
• Topological Polar Surface Area: 96.600 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 761.000
• 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

Häufig gestellte Fragen

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 2108830-08-4, the molecular formula is C33H40N6O3, and the molecular weight is 568.71 g/mol. InChIKey XERATECPNBWJFP-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.