Ubiquitination-IN-1 (compound 24) is an inhibitor (blocker/antagonist) of ubiquitination and Cksl-Skp2 protein interaction (IC50=0.17 μM), increasing p27 levels. Ubiquitination-IN-1 may be used in disease by blocking the degradation of tumor suppressors.

Physicochemical Properties

Molecular Formula	C21H14F3N3O2S
Molecular Weight	429.4150
Exact Mass	429.075
CAS #	1819330-15-8
PubChem CID	118873492
Appearance	Yellow to orange solid powder
LogP	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	30
Complexity	682
Defined Atom Stereocenter Count	0
SMILES	S(C1=C([H])C([H])=C([H])C(C(F)(F)F)=C1[H])(N([H])C1C([H])=C([H])C(C2=C([H])N=C([H])C([H])=C2[H])=C2C([H])=C([H])C([H])=NC=12)(=O)=O
InChi Key	RTHSEYQQWBBPHL-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H14F3N3O2S/c22-21(23,24)15-5-1-6-16(12-15)30(28,29)27-19-9-8-17(14-4-2-10-25-13-14)18-7-3-11-26-20(18)19/h1-13,27H
Chemical Name	N-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide
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	A549 and HT1080 cells are inhibited by ubiquitination-IN-1, with IC50 values of 0.91 and 0.4 μM, respectively[1].
References	[1]. Quinoline derivatives useful as ubiquitination inhibitors. WO2016025779A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~83.33 mg/mL (~194.06 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.84 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 20.8 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 (4.84 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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	2.3287 mL	11.6436 mL	23.2872 mL
	5 mM	0.4657 mL	2.3287 mL	4.6574 mL
	10 mM	0.2329 mL	1.1644 mL	2.3287 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.