USP8-IN-1 is a USP8 inhibitor (antagonist) with IC50 of 1.9 μM. USP8-IN-1 suppresses the growth of H1975 cells with a GI50 of 82.04 μM (CN111138358A; U10).

Physicochemical Properties

Molecular Formula	C18H21N5O3S
Molecular Weight	387.46
Exact Mass	387.136
CAS #	2477650-96-5
PubChem CID	163408888
Appearance	Light yellow to green yellow solid powder
LogP	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	27
Complexity	516
Defined Atom Stereocenter Count	0
SMILES	N1(C(NC2=CC=C([N+]([O-])=O)C=C2)=S)CCN(C2=CC=C(OC)C=C2N)CC1
InChi Key	LYQOAIJZQPUZEF-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H21N5O3S/c1-26-15-6-7-17(16(19)12-15)21-8-10-22(11-9-21)18(27)20-13-2-4-14(5-3-13)23(24)25/h2-7,12H,8-11,19H2,1H3,(H,20,27)
Chemical Name	4-(2-amino-4-methoxyphenyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide
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

References

[1]. USP8 inhibitor and preparation method and application thereof. CN111138358A.

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~322.61 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.37 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.5809 mL	12.9046 mL	25.8091 mL
	5 mM	0.5162 mL	2.5809 mL	5.1618 mL
	10 mM	0.2581 mL	1.2905 mL	2.5809 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.