BCL6-IN-5 is a potent inhibitor of BCL6 with pIC50 of 5.82. For more details, please see WO2018215801A1, example 1n.

Physicochemical Properties

Molecular Formula	C17H19CL2N5O2
Molecular Weight	396.271061182022
Exact Mass	395.091
CAS #	2253878-09-8
PubChem CID	135386935
Appearance	Light yellow to yellow solid powder
LogP	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	26
Complexity	523
Defined Atom Stereocenter Count	0
SMILES	ClC1=CN=C(N=C1NC1C=CC2=C(C=1)N(C(N2C)=O)CCC(C)(C)O)Cl
InChi Key	NKMQWLPBEJJYCN-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H19Cl2N5O2/c1-17(2,26)6-7-24-13-8-10(4-5-12(13)23(3)16(24)25)21-14-11(18)9-20-15(19)22-14/h4-5,8-9,26H,6-7H2,1-3H3,(H,20,21,22)
Chemical Name	5-[(2,5-dichloropyrimidin-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

References

[1]. Benzimidazolone derived inhibitors of bcl6. WO2018215801A1.

Solubility Data

Solubility (In Vitro)

DMSO : 20.83 mg/mL (52.57 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.25 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 (5.25 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	2.5235 mL	12.6177 mL	25.2353 mL
	5 mM	0.5047 mL	2.5235 mL	5.0471 mL
	10 mM	0.2524 mL	1.2618 mL	2.5235 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.