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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Targets |
T.cruzi Inhibitor targets the replication machinery of Trypanosoma cruzi, the causative agent of Chagas disease. While the specific molecular target is not explicitly stated in the provided sources, its potent inhibition of the parasite's replication (IC50 of 8 nM) indicates a highly specific interaction with a critical enzyme or protein essential for the parasite's life cycle. This compound is a valuable tool for studying the biology of T. cruzi and for identifying potential therapeutic targets for Chagas disease.
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| ln Vitro |
Trypanosoma cruzi replication is inhibited by T.cruzi-IN-1, with a toxicity IC50 of 61.6 μM[1].
In vitro, T.cruzi Inhibitor demonstrates extremely potent activity against Trypanosoma cruzi, with an IC50 of 8 nM for inhibiting parasite replication. This high potency makes it one of the most effective inhibitors of this parasite in cell-based assays. In addition to its antiparasitic activity, the compound shows a toxicity IC50 of 61.6 μM, indicating a significant therapeutic window between the effective dose and the dose that causes toxicity to host cells. |
| ln Vivo |
In vivo, T.cruzi Inhibitor is used in preclinical research to evaluate its potential for treating Chagas disease. Its 4-trifluoromethyl substitution is associated with potential usefulness in both the acute and chronic stages of the disease. While specific in vivo efficacy data are not detailed in the provided sources, its potent in vitro activity makes it a prime candidate for further study in animal models of T. cruzi infection.
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| Enzyme Assay |
In vitro enzyme/receptor binding studies for T.cruzi Inhibitor are not applicable in the traditional sense, as its target is the parasite itself and not a specific human receptor. Its activity is primarily assessed in cell-based assays that measure the inhibition of T. cruzi replication. These assays involve infecting mammalian cells with the parasite and then treating them with the compound to determine the concentration required to inhibit parasite growth. This is the standard method for characterizing its antiparasitic activity.
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| Cell Assay |
In vitro cellular assays are the primary method for evaluating the activity of T.cruzi Inhibitor. In these experiments, mammalian cells are infected with Trypanosoma cruzi and then treated with varying concentrations of the compound. The extent of parasite replication is then measured, typically by quantifying the number of parasites or by using reporter systems. The IC50 of 8 nM demonstrates the compound's exceptional potency in this setting. The toxicity IC50 of 61.6 μM is also determined in these assays to assess selectivity.
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| Animal Protocol |
In vivo animal studies for T.cruzi Inhibitor would typically involve mouse models of Chagas disease. In such studies, mice would be infected with Trypanosoma cruzi and then treated with the compound to assess its efficacy in reducing parasitemia and improving survival. While specific protocols are not detailed in the provided sources, these studies are a standard part of the preclinical development for any potential anti-Chagas drug, especially given the compound's promising in vitro profile.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of T.cruzi Inhibitor are characterized by its molecular weight of 426.91 g/mol and a molecular formula of C₂₂H₂₆ClF₃N₂O. It has a LogP of 4.513, indicating high lipophilicity. The compound is a solid powder and should be protected from light during storage. For research use, it is typically stored as a powder at -20°C for up to 3 years. These properties are important for its formulation and handling in laboratory studies.
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| Toxicity/Toxicokinetics |
Toxicological data for T.cruzi Inhibitor are primarily derived from in vitro studies. In cell-based assays, it has a toxicity IC50 of 61.6 μM, which is significantly higher than its antiparasitic IC50 of 8 nM, indicating a good selectivity index. This suggests that the compound is relatively non-toxic to mammalian cells at concentrations that are highly effective against the parasite. However, comprehensive in vivo toxicology studies are not detailed in the provided sources.
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| 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.
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| Additional Infomation |
T.cruzi Inhibitor (INVIVO1088 HCl) is a research-use-only compound developed for the study of Chagas disease. It is also known as T.cruzi-IN-1 and MDK-1088. Its CAS number is 1350920-22-7. The compound is a potent inhibitor of T. cruzi replication and represents a promising tool for drug discovery efforts aimed at treating this neglected disease. It is not approved for human use.
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| Molecular Formula |
C22H26CLF3N2O
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|---|---|
| Molecular Weight |
426.9082
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| Exact Mass |
390.192
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| Elemental Analysis |
C, 61.90; H, 6.14; Cl, 8.30; F, 13.35; N, 6.56; O, 3.75
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| CAS # |
1350920-22-7
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| PubChem CID |
46912157
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| Appearance |
Solid powder
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| LogP |
4.513
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
28
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| Complexity |
497
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC(C1C=CC(=CC=1)CN1CCCC(C(N(C)CC2C=CC=CC=2)=O)C1)(F)F
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| InChi Key |
GBBPVLQIMJCBJF-UHFFFAOYSA-N
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| 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
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| Chemical Name |
1-(4-Trifluoromethyl-benzyl)-piperidine-3-carboxylic acid benzyl-methyl-amide Hydrochloride
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| Synonyms |
T.cruzi Inhibitor; MDK-1088; MDK1088; MDK 1088; MDK-1088 HCl; MDK-1088 hydrochloride
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : ~50 mg/mL (~128.06 mM)
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| 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. View More
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. Solubility in Formulation 4: 10% DMSO+40% PEG300+5% Tween-80+45% Saline: ≥ 0.71 mg/mL (1.82 mM) |
| 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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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