JQKD82 (JADA82) tri HCl is a cell-permeable (penetrable) and selective KDM5 inhibitor. JQKD82 tri HCl increases H3K4me3 and may be utilized in the research of multiple myeloma.

Physicochemical Properties

Molecular Formula	C27H43CL3N4O5
Molecular Weight	610.013124704361
Exact Mass	608.229
CAS #	2863676-87-1
Related CAS #	JQKD82;2410512-38-6
PubChem CID	164516808
Appearance	White to light yellow solid powder
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	15
Heavy Atom Count	39
Complexity	660
Defined Atom Stereocenter Count	0
InChi Key	VSTHCFWHQMJPDZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C27H40N4O5.3ClH/c1-8-31(14-13-30(6)7)26(32)18-28-17-22-15-21(11-12-29-22)27(33)36-24-10-9-23(34-19(2)3)16-25(24)35-20(4)5;;;/h9-12,15-16,19-20,28H,8,13-14,17-18H2,1-7H3;3*1H
Chemical Name	[2,4-di(propan-2-yloxy)phenyl] 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylate;trihydrochloride
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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
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	KDM5
ln Vitro	In MM.1S cells, JQKD82 trihydrochloride (0.3 μM; 24 hours) trihydrochloride raises total H3K4me3 levels [1]. In MM.1S cells, JQKD82 trihydrochloride (0.1-10 μM; days 1-5) suppresses cell proliferation in a dose- and time-dependent way. The proliferation of MM.1S cells can be successfully inhibited by JQKD82 trihydrochloride (IC50=0.42 μM)[1]. For 48 hours, JQKD82 trihydrochloride (1 μM; 24 hours) causes G1 cell cycle arrest in MM.1S and MOLP-8 cells [1].
ln Vivo	JQKD82 trihydrochloride (intranasal injection; 50–75 mg/kg; twice day for three weeks) Trihydrochloride exhibits anti-multiple myeloma properties. [1]. In vivo, JQKD82 trihydrochloride causes a notable reduction in MYC immunostaining and increases H3K4me3 levels [1].
Animal Protocol	Animal/Disease Models: Sixweeks old female NOD.Cg-Prkdcscid Il2rgtm1Wjl/SzJ (NSG) mice (bearing MOLP-8 TurboGFP-Luc cells)[1] Doses: 50 mg/kg, 75 mg/kg Route of Administration: ip; twice a day for 3 weeks Experimental Results: Dramatically diminished tumor burden.
References	[1]. Histone demethylase 5 inhibitors and uses thereof. WO2020033377A1.

Solubility Data

Solubility (In Vitro)

DMSO : 50 mg/mL (81.97 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1 mg/mL (1.64 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 1 mg/mL (1.64 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 10.0 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. Solubility in Formulation 3: ≥ 1 mg/mL (1.64 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 10.0 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	1.6393 mL	8.1966 mL	16.3932 mL
	5 mM	0.3279 mL	1.6393 mL	3.2786 mL
	10 mM	0.1639 mL	0.8197 mL	1.6393 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.