UNC669 (UNC-669) is a novel, potent and selective inhibitor of malignant brain tumor (MBT) with anticancer activity. It inhibits L3MBTL1/3 with IC50 of 4.2 and 3.1 μM, respectively, and shows 11-fold selectivity over L3MBTL4.

Physicochemical Properties

Molecular Formula	C15H20BRN3O
Molecular Weight	338.24
Exact Mass	337.078
CAS #	1314241-44-5
Related CAS #	1314241-44-5
PubChem CID	46931242
Appearance	White to off-white solid powder
Density	1.4±0.1 g/cm3
Boiling Point	458.0±45.0 °C at 760 mmHg
Flash Point	230.8±28.7 °C
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.608
LogP	1.53
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	20
Complexity	338
Defined Atom Stereocenter Count	0
InChi Key	CQERVFFAOOUFEQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
Chemical Name	(5-bromopyridin-3-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
Synonyms	UNC 669, UNC-669, UNC669
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	L3MBTL1, a paralogue of Drosophila tumor suppressor lethal(3)malignant brain tumor (l(3)mbt), binds histones in a methylation state-dependent way and contributes to higher order chromatin structure and transcriptional repression. Similar to L3MBTL1, the closely related protein, L3MBTL3, also includes three MBT repeats and has been demonstrated to play a function in meduloblastoma production and normal hematopoiesis in humans[1][2].
ln Vivo
Animal Protocol
References	[1]. Small-molecule ligands of methyl-lysine binding proteins: optimization of selectivity for L3MBTL3. J Med Chem. 2013 Sep 26;56(18):7358-71. [2]. L3MBTL1, a histone-methylation-dependent chromatin lock. Cell. 2007;129(5):915-928. [3]. The L3MBTL3 Methyl-Lysine Reader Domain Functions As a Dimer [retracted in: ACS Chem Biol. 2018 Jan 19;13(1):281]. ACS Chem Biol. 2016;11(3):722-728.
Additional Infomation	(5-bromo-3-pyridinyl)-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone is an aromatic carboxylic acid and a pyridinemonocarboxylic acid.

Solubility Data

Solubility (In Vitro)

DMSO: 11 mg/mL (32.52 mM) Water:<1 mg/mL Ethanol:68 mg/mL (201.0 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.39 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: ≥ 2.5 mg/mL (7.39 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 25.0 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: ≥ 2.5 mg/mL (7.39 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 25.0 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	2.9565 mL	14.7824 mL	29.5648 mL
	5 mM	0.5913 mL	2.9565 mL	5.9130 mL
	10 mM	0.2956 mL	1.4782 mL	2.9565 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.