BCL6-IN-4 is a potent inhibitor of B-cell lymphoma 6 (BCL6) with IC50 of 97 nM. BCL6-IN-4 has anti-tumor effects.

Physicochemical Properties

Molecular Formula	C25H35CLN6O3
Molecular Weight	503.0368
Exact Mass	502.245
CAS #	2253879-65-9
PubChem CID	135386972
Appearance	White to light brown solid powder
LogP	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	35
Complexity	764
Defined Atom Stereocenter Count	0
SMILES	ClC1=C([H])N=C(N=C1N([H])C1C([H])=C([H])C2=C(C=1[H])N(C(N2C([H])([H])[H])=O)C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])O[H])N1C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])OC(C([H])([H])[H])(C([H])([H])[H])C1([H])[H]
InChi Key	BGCPLWWYPZAURQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C25H35ClN6O3/c1-23(2,34)10-11-32-19-12-16(8-9-18(19)30(7)22(32)33)28-20-17(26)13-27-21(29-20)31-14-24(3,4)35-25(5,6)15-31/h8-9,12-13,34H,10-11,14-15H2,1-7H3,(H,27,28,29)
Chemical Name	5-[[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one
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

Targets	IC50: 97 nM (BCL6)[1]
ln Vitro	Compound 25b, also known as BCL6-IN-4, has GI50 values of 2.8 μM and 4.2 μM, respectively, which inhibit the proliferation of OCI-Ly1 and OCI-Ly3 cell lines[1].
References	[1]. Achieving In Vivo Target Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J Med Chem. 2020 Apr 23;63(8):4047-4068.

Solubility Data

Solubility (In Vitro)

DMSO : 73.33 mg/mL (145.77 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 5.5 mg/mL (10.93 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 55.0 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.9879 mL	9.9396 mL	19.8791 mL
	5 mM	0.3976 mL	1.9879 mL	3.9758 mL
	10 mM	0.1988 mL	0.9940 mL	1.9879 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.