KDM2B-IN-4 is an inhibitor (blocker/antagonist) of the histone demethylase KDM2B. KDM2B-IN-4 could be used in cancer research. For more details, check and find compound 182b from the patent WO2016112284A1.

Physicochemical Properties

Molecular Formula	C24H28N2O2
Molecular Weight	376.49
Exact Mass	376.215
CAS #	1966933-85-6
PubChem CID	121479197
Appearance	Off-white to light yellow solid powder
LogP	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	28
Complexity	607
Defined Atom Stereocenter Count	2
SMILES	C1(CC#N)=C2C(C=C(C([C@H]3[C@@H](C)CCN(C4CCC4)C3)=O)C=C2)=CC=C1OC
InChi Key	BJDGGDWQTYWFQS-KSFYIVLOSA-N
InChi Code	InChI=1S/C24H28N2O2/c1-16-11-13-26(19-4-3-5-19)15-22(16)24(27)18-6-8-20-17(14-18)7-9-23(28-2)21(20)10-12-25/h6-9,14,16,19,22H,3-5,10-11,13,15H2,1-2H3/t16-,22+/m0/s1
Chemical Name	2-[6-[(3S,4S)-1-cyclobutyl-4-methylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
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	KDM2
References	[1]. (piperidin-3-yl)(naphthalen-2-yl)methanone derivatives and related compounds as inhibitors of the histone demethylase kdm2b for the treatment of cancer. WO2016112284A1.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (265.61 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 5 mg/mL (13.28 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 50.0 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	2.6561 mL	13.2806 mL	26.5611 mL
	5 mM	0.5312 mL	2.6561 mL	5.3122 mL
	10 mM	0.2656 mL	1.3281 mL	2.6561 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.