DB2115 (terta HCl) is a potent inhibitor of the bone marrow master regulator PU.1. DB2115 (terta HCl) may be used for studying cancer diseases such as hematological cancers such as leukemia, and other diseases related to PU. 1 dysfunction (information from patent WO2017223260A1, compound DB2115).

Physicochemical Properties

Molecular Formula	C32H34CL4N8O2
Molecular Weight	704.48
Exact Mass	704.152
CAS #	1366126-19-3
PubChem CID	162642784
Appearance	Typically exists as solid at room temperature
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Heavy Atom Count	46
Complexity	833
Defined Atom Stereocenter Count	0
InChi Key	ADRCMNUIKDHGQW-UHFFFAOYSA-N
InChi Code	InChI=1S/C32H30N8O2.4ClH/c33-29(34)21-7-13-25-27(17-21)39-31(37-25)19-3-9-23(10-4-19)41-15-1-2-16-42-24-11-5-20(6-12-24)32-38-26-14-8-22(30(35)36)18-28(26)40-32;;;;/h3-14,17-18H,1-2,15-16H2,(H3,33,34)(H3,35,36)(H,37,39)(H,38,40);4*1H
Chemical Name	2-[4-[4-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenoxy]butoxy]phenyl]-3H-benzimidazole-5-carboximidamide;tetrahydrochloride
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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
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

Targets	PU.1[1]
References	[1]. W. David Wilson, et al. Pu.1 inhibitors. Patent WO2017223260A1.

Solubility Data

Solubility (In Vitro)

DMSO : 15.85 mg/mL (22.50 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 1 mg/mL (1.42 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 (1.42 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.4195 mL	7.0974 mL	14.1949 mL
	5 mM	0.2839 mL	1.4195 mL	2.8390 mL
	10 mM	0.1419 mL	0.7097 mL	1.4195 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.