MCL-1/BCL-2-IN-4 (Compound 7) is a potent and specific inhibitor of Mcl-1 and Bcl-2.

Physicochemical Properties

Molecular Formula	C26H23BRN2O5S
Molecular Weight	555.440224885941
Exact Mass	554.051
CAS #	2163793-56-2
PubChem CID	145712378
Appearance	Typically exists as solid at room temperature
LogP	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	35
Complexity	803
Defined Atom Stereocenter Count	0
InChi Key	CNEKGBXSPSZPSV-UHFFFAOYSA-N
InChi Code	InChI=1S/C26H23BrN2O5S/c27-16-8-10-17(11-9-16)35-21-13-12-20-24-18(21)4-3-5-19(24)25(33)29(26(20)34)15-14-28-22(30)6-1-2-7-23(31)32/h3-5,8-13H,1-2,6-7,14-15H2,(H,28,30)(H,31,32)
Chemical Name	6-[2-[6-(4-bromophenyl)sulfanyl-1,3-dioxobenzo[de]isoquinolin-2-yl]ethylamino]-6-oxohexanoic 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

References

[1]. Proteolysis Targeting Chimeras for the Selective Degradation of Mcl-1/Bcl-2 Derived from Nonselective Target Binding Ligands. J Med Chem. 2019 Sep 12;62(17):8152-8163.

Solubility Data

Solubility (In Vitro)

DMSO : 20.83 mg/mL (37.50 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (3.74 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 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL 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: ≥ 2.08 mg/mL (3.74 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 20.8 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	1.8004 mL	9.0019 mL	18.0037 mL
	5 mM	0.3601 mL	1.8004 mL	3.6007 mL
	10 mM	0.1800 mL	0.9002 mL	1.8004 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.