Transketolase-IN-2 (compound 4w) is a potent Transketolase inhibitor. Transketolase-IN-2 shows strong inhibitory effects on Digitaria sanguinalis and Amaranthus retroflexus (inhibition rate exceeds 90% at 200 mg/L and approximately 80% at 100 mg/L). Transketolase-IN-2 may be utilized in weed control research.

Physicochemical Properties

Molecular Formula	C18H9F3N2O3S
Molecular Weight	390.335873365402
Exact Mass	390.028
CAS #	2757552-21-7
PubChem CID	165437255
Appearance	White to light yellow solid powder
LogP	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Heavy Atom Count	27
Complexity	641
Defined Atom Stereocenter Count	0
SMILES	C1(=O)C2=C3C(C=CC=C3C(=O)N1C(C1SC(C)=NC=1C(F)(F)F)=O)=CC=C2
InChi Key	DSBLHEOFYWPYFY-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H9F3N2O3S/c1-8-22-14(18(19,20)21)13(27-8)17(26)23-15(24)10-6-2-4-9-5-3-7-11(12(9)10)16(23)25/h2-7H,1H3
Chemical Name	2-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]benzo[de]isoquinoline-1,3-dione
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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), 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

Targets	Transketolase[1].
ln Vitro	Transketolase-IN-2 (200 mg/L) has a 90% stem inhibition and a 92% root inhibition, which are substantial inhibitory effects against DS[1]. Transketolase-IN-2 (200 mg/L) has a 90% stem inhibition and a 91% root inhibition, which are substantial inhibitory actions against AR.
References	[1]. Design, Synthesis, and Herbicidal Activity of Naphthalimide-Aroyl Hybrids as Potent Transketolase Inhibitors. J Agric Food Chem. 2022 Oct 12;70(40):12819-12829.

Solubility Data

Solubility (In Vitro)

DMSO: 33.33 mg/mL (85.39 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.40 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	2.5619 mL	12.8093 mL	25.6187 mL
	5 mM	0.5124 mL	2.5619 mL	5.1237 mL
	10 mM	0.2562 mL	1.2809 mL	2.5619 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.