CD532 HCl is a potent Aurora A kinase inhibitor (antagonist) with IC50 of 45 nM. CD532 HCl has the dual effects of blocking Aurora A kinase activity and driving MYCN degradation. CD532 HCl can also directly interact with AURKA and induce a global conformational shift. CD532 HCl may be utilized in cancer research.

Physicochemical Properties

Molecular Formula	C26H26CLF3N8O
Molecular Weight	558.985853672028
Exact Mass	558.187
CAS #	2926498-81-7
Related CAS #	CD532;1639009-81-6
PubChem CID	162640520
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	39
Complexity	759
Defined Atom Stereocenter Count	0
InChi Key	JEMDMVHTFBVJDO-UHFFFAOYSA-N
InChi Code	InChI=1S/C26H25F3N8O.ClH/c27-26(28,29)17-6-3-7-20(14-17)33-25(38)32-19-10-8-18(9-11-19)31-24-30-13-12-22(35-24)34-23-15-21(36-37-23)16-4-1-2-5-16;/h3,6-16H,1-2,4-5H2,(H2,32,33,38)(H3,30,31,34,35,36,37);1H
Chemical Name	1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;hydrochloride
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

Animal Protocol	Animal/Disease Models: Homozygous nu/nu (nude) mice with SHH-subtype MYCN-expressing medulloblastoma[1] Doses: 25 mg/kg Route of Administration: Ip twice weekly for 3 weeks Experimental Results: diminished the level of MYCN protein and tumor volume and increases survival.
References	[1]. Drugging MYCN through an allosteric transition in Aurora kinase A. Cancer Cell. 2014 Sep 8;26(3):414-427. [2]. N-Myc Drives Neuroendocrine Prostate Cancer Initiated from Human Prostate Epithelial Cells. Cancer Cell. 2016 Apr 11;29(4):536-547.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (178.89 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (4.47 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.7889 mL	8.9447 mL	17.8894 mL
	5 mM	0.3578 mL	1.7889 mL	3.5779 mL
	10 mM	0.1789 mL	0.8945 mL	1.7889 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.