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TH1834 - 99%, high purity , CAS No.2108830-08-4

COA

Grade & Purity:

≥99%

Cas Number: 2108830-08-4
Molecular Weight: 568.71
PubChem CID: 91826512

In stock

Item Number

T646743

Grouped product items
SKU	Size	Availability	Price
T646743-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$160.90
T646743-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$290.90
T646743-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,150.90
T646743-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,050.90

View related series

Apoptosis (4276) Epigenetics (1496) Histone Acetyltransferase (79) Histone Modification (1379)

Basic Description

Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	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 Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Tetrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-[5-[4-[[2-phenylethyl-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]butyl]amino]methyl]phenyl]tetrazol-2-yl]acetic acid
INCHI	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)
InChIKey	XERATECPNBWJFP-UHFFFAOYSA-N
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
Isomeric 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
Molecular Weight	568.71

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 10 mg/mL (17.58 mM; ultrasonic and warming and heat to 60°C)
Molecular Weight	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 Å²
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

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