TP-021 (BCL6-IN-8c) is a potent orally bioactive inhibitor of the BCL6-co-repressor interaction with IC50 of 0.10 µM in a cell-free ELISA assay.

Physicochemical Properties

Molecular Formula	C20H20CLN3O5
Molecular Weight	417.842904090881
Exact Mass	417.109
CAS #	2130878-25-8
PubChem CID	131801156
Appearance	Light yellow to yellow solid powder
LogP	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	29
Complexity	597
Defined Atom Stereocenter Count	0
SMILES	ClC1C=C(C(=CC=1NC1C=CC2=C(C=1)CCC(N2)=O)OC1CCOCC1)[N+](=O)[O-]
InChi Key	RRELDGDKULRRDM-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H20ClN3O5/c21-15-10-18(24(26)27)19(29-14-5-7-28-8-6-14)11-17(15)22-13-2-3-16-12(9-13)1-4-20(25)23-16/h2-3,9-11,14,22H,1,4-8H2,(H,23,25)
Chemical Name	6-[2-chloro-4-nitro-5-(oxan-4-yloxy)anilino]-3,4-dihydro-1H-quinolin-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

ln Vitro	Additionally, TP-021 (BCL6-IN-8c, compound 8c) shows good submicromolar (M2H IC50 = 0.72 µM) cellular PPI inhibitory activity. Even at 30 µM, TP-021 (BCL6-IN-8c) does not show any appreciable cytotoxicity [1].
ln Vivo	TP-021 (BCL6-IN-8c, compound 8c) was studied at doses of 0.1 mg/kg iv and 1 mg/kg po using mouse box dosing procedures to determine its pharmacokinetic properties. With Cmax = 233 ng/mL, Tmax = 2 hours, MRT = 3.3 h, AUC = 1.27 mg·h/mL, and F (oral bio Utilization) = 79.9%, TP-021 (BCL6-IN-8c) demonstrated favorable pharmacokinetic characteristics[1].
References	[1]. Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design. Bioorg Med Chem. 2017 Sep 1;25(17):4876-4886.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 50 mg/mL (~119.66 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.71 mg/mL (1.70 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 7.1 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	2.3933 mL	11.9663 mL	23.9326 mL
	5 mM	0.4787 mL	2.3933 mL	4.7865 mL
	10 mM	0.2393 mL	1.1966 mL	2.3933 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.