PKCß inhibitor, an anilino-monoindolylmaleimide compound, is a novel, potent, ATP-competitive and selective inhibitor of PKCß isozymes. Specifically, it acts as a PKCβ inhibitor with IC50s of 21 and 5 nM for human PKCβ1 and PKCβ2, respectively.

Physicochemical Properties

Molecular Formula	C24H21N5O2
Molecular Weight	411.45584
Exact Mass	411.17
CAS #	257879-35-9
Related CAS #	257879-35-9;
PubChem CID	6419755
Appearance	Yellow to orange solid powder
LogP	3.756
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	31
Complexity	717
Defined Atom Stereocenter Count	0
InChi Key	KIWODJBCHRADND-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H21N5O2/c30-23-21(22(24(31)27-23)26-17-7-2-1-3-8-17)19-15-29(20-10-5-4-9-18(19)20)13-6-12-28-14-11-25-16-28/h1-5,7-11,14-16H,6,12-13H2,(H2,26,27,30,31)
Chemical Name	3-anilino-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
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	human PKCβ1:21 nM (IC50) human PKCβ2:5 nM (IC50) PKCα:331 nM (IC50)
ln Vitro	In a time- and dose-dependent way, PKCβ inhibitor 1 (0-30 μM; 48 hours) inhibits the growth of tumor cells[2]. Induction of apoptosis in 2F7 cells is caused by PKCβ inhibitor 1 (14 μM; 2-48 hours). Cell cycle progression in 2F7 and BCBL-1 cells is inhibited by PKCβ inhibitor 1 (15 μM; 2-48 hours)[2]. The expression of phospho-PKCβ in BCBL-1 and 2F7 cells is decreased by PKCβ (15 or 14 μM, respectively; 2-48 hours) inhibitor 1[2]. Supressing GSK3β, mTOR, and S6 phosphorylation is the effect of PKCβ inhibitor 1 (0–48 hours)[2].
Cell Assay	Cell Proliferation Assay[2] Cell Types: 2F7, BCBL-1 cells Tested Concentrations: 0, 5, 10, 20, and 30 μM Incubation Duration: 48 hrs (hours) Experimental Results: A dose-dependent reduction in viability of the 2F7 and BCBL-1 cells starting at 5 μM and increasing with elevated inhibitor concentration. Apoptosis Analysis[2] Cell Types: 2F7 cells Tested Concentrations: 14 μM Incubation Duration: 2-48 hrs (hours) Experimental Results: Apoptotic induction in 2.1% of the 2F7 cells above background after 2 hrs (hours) of treatment, increasing through 48 hrs (hours) of treatment. Cell Cycle Analysis[2] Cell Types: BCBL -1 Cells Tested Concentrations: 15 μM (the IC50) Incubation Duration: 2-48 hrs (hours) Experimental Results: Inhibits cell cycle progression in 2F7 and BCBL-1 cells. Western Blot Analysis[2] Cell Types: BCBL-1 and 2F7 cell lines Tested Concentrations: 15 or 14 μM (at the IC50 respectively) Incubation Duration: 2-48 hrs (hours) Experimental Results: The expression of phospho-PKCβ in BCBL-1 and 2F7 cells decreased.
References	[1]. Synthesis of anilino-monoindolylmaleimides as potent and selective PKCbeta inhibitors. Bioorg Med Chem Lett. 2004 Oct 18;14(20):5171-4. [2]. Protein kinase C-beta inhibition induces apoptosis and inhibits cell cycle progression in acquired immunodeficiency syndrome-related non-hodgkin lymphoma cells. J Investig Med. 2012 Jan;60(1):29-38.
Additional Infomation	3-anilino-4-[1-[3-(1-imidazolyl)propyl]-3-indolyl]pyrrole-2,5-dione is a member of maleimides.

Solubility Data

Solubility (In Vitro)

DMSO : ~250 mg/mL (~607.59 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 6.25 mg/mL (15.19 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 62.5 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: ≥ 6.25 mg/mL (15.19 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 62.5 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	2.4304 mL	12.1518 mL	24.3037 mL
	5 mM	0.4861 mL	2.4304 mL	4.8607 mL
	10 mM	0.2430 mL	1.2152 mL	2.4304 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.