Menin-MLL inhibitor 19, a potent inhibitor of menin-mll interaction, Example A17, originated from patent WO2019120209A1. Menin-MLL inhibitor 19 may be utilized in the study of a variety of diseases, such as cancer, myelodysplastic syndrome (MDS) and diabetes.

Physicochemical Properties

Molecular Formula	C30H34F3N7O4S
Molecular Weight	645.695675373077
Exact Mass	645.234
CAS #	2360487-93-8
PubChem CID	147568539
Appearance	White to light yellow solid powder
LogP	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Heavy Atom Count	45
Complexity	1150
Defined Atom Stereocenter Count	0
InChi Key	FUBBZUWVZBXTGJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C30H34F3N7O4S/c1-28(2,3)44-27(43)39(12-17-4-5-22-21(8-17)37-26(42)40(22)13-23(34)41)18-6-7-29(10-18)14-38(15-29)24-20-9-19(11-30(31,32)33)45-25(20)36-16-35-24/h4-5,8-9,16,18H,6-7,10-15H2,1-3H3,(H2,34,41)(H,37,42)
Chemical Name	tert-butyl N-[[1-(2-amino-2-oxoethyl)-2-oxo-3H-benzimidazol-5-yl]methyl]-N-[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]carbamate
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	IC50: menin-mll interaction[1]
References	[1]. Xuedong Dai, et al. Exo-aza spiro inhibitors of menin-mll interaction. Patent WO2019120209A1

Solubility Data

Solubility (In Vitro)

DMSO : 200 mg/mL (309.74 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 5 mg/mL (7.74 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 50.0 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: ≥ 5 mg/mL (7.74 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 50.0 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: ≥ 5 mg/mL (7.74 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	1.5487 mL	7.7435 mL	15.4871 mL
	5 mM	0.3097 mL	1.5487 mL	3.0974 mL
	10 mM	0.1549 mL	0.7744 mL	1.5487 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.