SIC5-6 is a potent Separase inhibitor. Separase is a large cysteine protease involved in chromosome segregation, DNA damage repair, centrosome separation and duplication, spindle stabilization and elongation during mitosis and meiosis. Separase is highly overexpressed in many solid cancers and is an attractive chemotherapeutic target.

Physicochemical Properties

Molecular Formula	C27H24IN3O2S
Molecular Weight	581.467837333679
Exact Mass	581.063
CAS #	2410846-16-9
PubChem CID	154827475
Appearance	White to off-white solid powder
LogP	5.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	34
Complexity	782
Defined Atom Stereocenter Count	0
SMILES	S(C1C=CC(I)=CC=1)(N1CCC(C2=CNC3=CC=CC=C23)(C2=CNC3=CC=CC=C23)CC1)(=O)=O
InChi Key	JRVKJWXBSOQUOI-UHFFFAOYSA-N
InChi Code	InChI=1S/C27H24IN3O2S/c28-19-9-11-20(12-10-19)34(32,33)31-15-13-27(14-16-31,23-17-29-25-7-3-1-5-21(23)25)24-18-30-26-8-4-2-6-22(24)26/h1-12,17-18,29-30H,13-16H2
Chemical Name	3-[4-(1H-indol-3-yl)-1-(4-iodophenyl)sulfonylpiperidin-4-yl]-1H-indole
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	Separase[1]
ln Vitro	In HeLa cells, SIC5-6 (30 μM, 100 μM) promotes Rad21 cleavage and Caspase-1 activity. (Rad21: Attaches to the fluorescent dye Rh110 and has a Separase cleavage site)[1]
References	[1]. Identification of Bioactive Small Molecule Inhibitors of Separase. ACS Chem Biol. 2019 Oct 18;14(10):2155-2159.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (171.98 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.30 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 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.30 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 25.0 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	1.7198 mL	8.5989 mL	17.1978 mL
	5 mM	0.3440 mL	1.7198 mL	3.4396 mL
	10 mM	0.1720 mL	0.8599 mL	1.7198 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.