Transketolase-IN-3 is a potent transketolase (TK) inhibitor. Transketolase-IN-3 has herbicidal activity and inhibitory effects on sanguinea (DS) and amaranth (AR). Transketolase-IN-3 may be utilized in herbicide research.

Physicochemical Properties

Molecular Formula	C20H9CLF3NO3
Molecular Weight	403.74
Exact Mass	403.022
CAS #	2757552-03-5
PubChem CID	165437256
Appearance	White to light yellow solid powder
LogP	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	28
Complexity	652
Defined Atom Stereocenter Count	0
SMILES	O=C1N(C(C2=CC=CC3C=CC=C1C2=3)=O)C(C1C=CC(=CC=1Cl)C(F)(F)F)=O
InChi Key	MQJOKZYPUSULEI-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H9ClF3NO3/c21-15-9-11(20(22,23)24)7-8-12(15)17(26)25-18(27)13-5-1-3-10-4-2-6-14(16(10)13)19(25)28/h1-9H
Chemical Name	2-[2-chloro-4-(trifluoromethyl)benzoyl]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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
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	The inhibitory effects of transketolase-IN-3 (100 mg/L) in Digitaria sanguinalis (DS) and Amaranthus retroflexus (AR) are more pronounced [1]. Transketolase-IN-3 has good postemergence herbicidal efficacy against DS and AR (at 0-90 g)[1].
References	[1]. Design, Synthesis, and Herbicidal Activity of Naphthalimide-Aroyl Hybrids as Potent Transketolase Inhibitors. J Agric Food Chem.

Solubility Data

Solubility (In Vitro)

DMSO: 25 mg/mL (61.92 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.67 mg/mL (4.14 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 16.7 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	2.4768 mL	12.3842 mL	24.7684 mL
	5 mM	0.4954 mL	2.4768 mL	4.9537 mL
	10 mM	0.2477 mL	1.2384 mL	2.4768 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.