ML324 (also known as CID-44143209) is a cell-permeable and selective inhibitor of jumonji histone demethylase (JMJD2) with antiviral activity. It inhibits JMJD2 demethylase with an IC50 of 920 nM. ML324 exhibits potent anti-viral activity against both herpes simplex virus (HSV) and human cytomegalovirus (hCMV) infection via inhibition viral IE gene expression.

Physicochemical Properties

Molecular Formula	C21H23N3O2
Molecular Weight	349.43
Exact Mass	349.179
Elemental Analysis	C, 72.18; H, 6.63; N, 12.03; O, 9.16
CAS #	1222800-79-4
Related CAS #	1222800-79-4
PubChem CID	44143209
Appearance	Yellow to gray solid powder
Density	1.2±0.1 g/cm3
Boiling Point	590.1±50.0 °C at 760 mmHg
Flash Point	310.7±30.1 °C
Vapour Pressure	0.0±1.7 mmHg at 25°C
Index of Refraction	1.629
LogP	2.22
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	26
Complexity	449
Defined Atom Stereocenter Count	0
SMILES	O=C(C1C([H])=C([H])C(=C([H])C=1[H])C1=C([H])C(=C2C(C([H])=C([H])C([H])=N2)=C1[H])O[H])N([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]
InChi Key	QDBVSOZTVKXUES-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26)
Chemical Name	N-[3-(dimethylamino)propyl]-4-(8-hydroxy-6-quinolinyl)-benzamide
Synonyms	CID 44143209; CID-44143209; CID44143209; ML 324; ML-324; ML324
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	In osteoclast progenitors, ML324 significantly reduces the amount of Aa-LPS-induced osteoclastogenesis[1].
ln Vivo	In a mouse ganglia explant model of latently infected mice, ML324 suppresses the formation of HSV plaques, and blocks HSV-1 reactivation
Animal Protocol	N/A Mice
References	[1]. Discovery of ML324, a JMJD2 demethylase inhibitor with demonstrated antiviral activity. [2]. Inhibition of the histone demethylase KDM4B leads to activation of KDM1A, attenuates bacterial-induced pro-inflammatory cytokine release, and reduces osteoclastogenesis. Epigenetics. 2018; 13(5): 557–572.

Solubility Data

Solubility (In Vitro)

DMSO: 43 mg/mL (123.0 mM) Water:<1 mg/mL Ethanol: 3 mg/mL (8.6 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.15 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 25.0 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (5.95 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 20.8 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	2.8618 mL	14.3090 mL	28.6180 mL
	5 mM	0.5724 mL	2.8618 mL	5.7236 mL
	10 mM	0.2862 mL	1.4309 mL	2.8618 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.