T.cruzi-IN-1 is a potent inhibitor of Trypanosoma cruzi with IC50 of 8 nM. T.cruzi-IN-1 is a 4-trifluoromethyl substituted analog with potential usefulness in the acute and chronic stages of Chagas disease.

Physicochemical Properties

Molecular Formula	C22H26CLF3N2O
Molecular Weight	426.9082
Exact Mass	390.192
Elemental Analysis	C, 61.90; H, 6.14; Cl, 8.30; F, 13.35; N, 6.56; O, 3.75
CAS #	1350920-22-7
PubChem CID	46912157
Appearance	Solid powder
LogP	4.513
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	28
Complexity	497
Defined Atom Stereocenter Count	0
SMILES	FC(C1C=CC(=CC=1)CN1CCCC(C(N(C)CC2C=CC=CC=2)=O)C1)(F)F
InChi Key	GBBPVLQIMJCBJF-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H25F3N2O.ClH/c1-26(14-17-6-3-2-4-7-17)21(28)19-8-5-13-27(16-19)15-18-9-11-20(12-10-18)22(23,24)25;/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3;1H
Chemical Name	1-(4-Trifluoromethyl-benzyl)-piperidine-3-carboxylic acid benzyl-methyl-amide Hydrochloride
Synonyms	T.cruzi Inhibitor; MDK-1088; MDK1088; MDK 1088; MDK-1088 HCl; MDK-1088 hydrochloride
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: This product requires protection from light (avoid light exposure) during transportation and storage.
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	Trypanosoma cruzi replication is inhibited by T.cruzi-IN-1, with a toxicity IC50 of 61.6 μM[1].
References	[1]. Germain AR, et al. Identification of small-molecule inhibitors of Trypansoma cruzi replication. Bioorg Med Chem Lett. 2011 Dec 1;21(23):7197-200.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~128.06 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.71 mg/mL (1.82 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 7.1 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: ≥ 0.71 mg/mL (1.82 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 7.1 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 0.71 mg/mL (1.82 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 7.1 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 10% DMSO+40% PEG300+5% Tween-80+45% Saline: ≥ 0.71 mg/mL (1.82 mM)  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.3424 mL	11.7121 mL	23.4241 mL
	5 mM	0.4685 mL	2.3424 mL	4.6848 mL
	10 mM	0.2342 mL	1.1712 mL	2.3424 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.