TH1834 is a specific inhibitor of Tip60 (KAT5) histone acetyltransferase. TH1834 causes apoptosis and increases DNA damage in breast cancer/tumor cells. TH1834 does not affect the activity of the related histone acetyltransferase MOF. TH1834 has anti-cancer effect.

Physicochemical Properties

Molecular Formula	C33H40N6O3
Molecular Weight	568.7091
Exact Mass	568.316
CAS #	2108830-08-4
Related CAS #	TH1834 dihydrochloride;2108830-09-5
PubChem CID	91826512
Appearance	White to light yellow solid powder
LogP	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	16
Heavy Atom Count	42
Complexity	761
Defined Atom Stereocenter Count	0
SMILES	O(C1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])C1C([H])=C([H])C(C2N=NN(C([H])([H])C(=O)O[H])N=2)=C([H])C=1[H])C([H])([H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H]
InChi Key	XERATECPNBWJFP-UHFFFAOYSA-N
InChi Code	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)
Chemical Name	2-[5-[4-[[2-phenylethyl-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]butyl]amino]methyl]phenyl]tetrazol-2-yl]acetic acid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	The viability of MCF7 cells is considerably reduced by TH1834 (0-500 μM; 1 hour) [1]. MCF7 cells treated with TH1834 (0-500 μM; 1 hour) exhibit a considerable increase in cytotoxicity [1]. MCF7 cells are exposed to 500 μM of TH1834 for one hour, which causes caspase 3 activation [1]. In vitro, TH1834 dramatically reduces Tip60 activity. In breast cancer, TH1834 treatment increases unrepaired DNA damage and induces death in cells [1].
Cell Assay	Cell Viability Assay [1] Cell Types: MCF7 cells Tested Concentrations: 0μM, 0.5μM, 5μM, 50μM and 500μM Incubation Duration: 1 hour Experimental Results: The viability of MCF7 cells was Dramatically diminished. Cytotoxicity assay[1] Cell Types: MCF7 Cell Tested Concentrations: 0 μM, 0.5 μM, 5 μM, 50 μM and 500 μM Incubation Duration: 1 hour Experimental Results: Cytotoxicity increased Dramatically at all concentrations used. Western Blot Analysis[1] Cell Types: MCF7 Cells Tested Concentrations: 500 μM Incubation Duration: 1 hour Experimental Results: In an independent assay, significant caspase 3 activation was observed in MCF7 cells.
References	[1]. Rational design and validation of a Tip60 histone acetyltransferase inhibitor. Sci Rep. 2014 Jun 20;4:5372.

Solubility Data

Solubility (In Vitro)

DMSO : ~10 mg/mL (~17.58 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1 mg/mL (1.76 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1 mg/mL (1.76 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 1 mg/mL (1.76 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.7584 mL	8.7918 mL	17.5837 mL
	5 mM	0.3517 mL	1.7584 mL	3.5167 mL
	10 mM	0.1758 mL	0.8792 mL	1.7584 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.