LW3 is a potent antifungal agent. LW3 has antifungal activity with EC50s of 0.54, 0.09, 1.52 and 2.65 mg/L against B. cinerea, R. solani, S. sclerotiorum and F. graminearum.

Physicochemical Properties

Molecular Formula	C17H12F3N3O
Molecular Weight	331.291893959045
Exact Mass	331.093
CAS #	2803367-68-0
PubChem CID	168510588
Appearance	Off-white to light yellow solid powder
LogP	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	24
Complexity	435
Defined Atom Stereocenter Count	0
SMILES	FC(C1C=CC(=CC=1)NNC(C1C=C2C=CC=CC2=CN=1)=O)(F)F
InChi Key	VWWYHTOMBXKSRA-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H12F3N3O/c18-17(19,20)13-5-7-14(8-6-13)22-23-16(24)15-9-11-3-1-2-4-12(11)10-21-15/h1-10,22H,(H,23,24)
Chemical Name	N'-[4-(trifluoromethyl)phenyl]isoquinoline-3-carbohydrazide
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]. Bioactivity-Guided Subtraction of MIQOX for Easily Available Isoquinoline Hydrazides as Novel Antifungal Candidates. J Agric Food Chem. 2023 Aug 2;71(30):11341-11349.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (301.85 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.55 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	3.0185 mL	15.0925 mL	30.1850 mL
	5 mM	0.6037 mL	3.0185 mL	6.0370 mL
	10 mM	0.3019 mL	1.5093 mL	3.0185 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.