F5446 is an inhibitor of SUV39H1 methyltransferase. F5446 induces cell death in human colon cancer cells in a dose-dependent manner.

Physicochemical Properties

Molecular Formula	C26H17CLN2O8S
Molecular Weight	552.939784765244
Exact Mass	552.039
CAS #	2304465-89-0
PubChem CID	138482841
Appearance	Orange to reddish brown solid powder
LogP	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	38
Complexity	1060
Defined Atom Stereocenter Count	0
InChi Key	MLPQCOLPRPRADV-UHFFFAOYSA-N
InChi Code	InChI=1S/C26H17ClN2O8S/c1-36-26(33)19-11-17-20-18(25(32)37-13-14-5-3-2-4-6-14)12-28-21(20)23(30)24(31)22(17)29(19)38(34,35)16-9-7-15(27)8-10-16/h2-12,28H,13H2,1H3
Chemical Name	8-O-benzyl 2-O-methyl 3-(4-chlorophenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate
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].Small molecule histone methyltransferase SUV39H1 inhibitor and uses thereof. US10577371B2. 2018.

Solubility Data

Solubility (In Vitro)

DMSO :~100 mg/mL (~180.85 mM; with sonication)

Solubility (In Vivo)

Solubility in Formulation 1: 2 mg/mL (3.62 mM) in 15% Cremophor EL + 85% 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, Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 1.82 mg/mL (3.29 mM) in 10% Cremophor EL in PBS (add these co-solvents sequentially from left to right, and one by one),suspension solution; with ultrasonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.8085 mL	9.0426 mL	18.0851 mL
	5 mM	0.3617 mL	1.8085 mL	3.6170 mL
	10 mM	0.1809 mL	0.9043 mL	1.8085 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.