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DDD85646

Name: DDD85646
Brand: TargetMol
SKU: T27135
Price: 97 USD
Availability: InStock
Rating: 5 (10 reviews)

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Catalog No. T27135Cas No. 1215010-55-1

Alias DDD-85646, DDD 85646

DDD85646 is an inhibitor of T. brucei N-myristoyltransferase with a Ki of 1.44 nM, an IC50 of 2 nM and an EC50 of 2 nM. The IC50 of hNMT is 4 nM.

DDD85646

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Purity: 99.76%

Catalog No. T27135Alias DDD-85646, DDD 85646Cas No. 1215010-55-1

DDD85646 is an inhibitor of T. brucei N-myristoyltransferase with a Ki of 1.44 nM, an IC50 of 2 nM and an EC50 of 2 nM. The IC50 of hNMT is 4 nM.

Pack Size	Price	USA Warehouse	Global Warehouse
1 mg	$97	In Stock	In Stock
5 mg	$280	In Stock	In Stock
10 mg	$421	In Stock	In Stock
25 mg	$712	In Stock	In Stock
50 mg	$990	In Stock	In Stock
100 mg	$1,360	In Stock	In Stock
1 mL x 10 mM (in DMSO)	$306	In Stock	In Stock

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In Stock Estimated shipping dateUSA Warehouse[1-2 days] Global Warehouse[5-7 days]

This molecule is a custom-made product. TargetMol has an excellent synthesis team with the experience and capability to provide you with cost-effective products.If you have any questions, please feel free to contact us. We are committed to serving you wholeheartedly.

All TargetMol products are for research purposes only and cannot be used for human consumption. We do not provide products or services to individuals. Please comply with the intended use and do not use TargetMol products for any other purpose.

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Purity:99.76%

Appearance:Solid

Color:Yellow

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COA LCMS HNMR

Product Introduction

DDD85646 AI Summary

DDD85646 exhibits potent inhibitory activity against N-myristoyltransferases from Trypanosoma brucei, Leishmania major, and Trypanosoma cruzi with IC50 values ranging from 2.0 to 3.0 nM. It also effectively inhibits human N-myristoyltransferase 1 and 2 with similar IC50 values. The compound has demonstrated strong antitrypanosomal activity with EC50 values down to 2.0 nM against Trypanosoma brucei BSF427 expressing VSG118, as well as significant efficacy in Trypanosoma brucei brucei s427 and Trypanosoma brucei rhodesiense infected mouse models with median effective doses (MED) of 12.5 and 50.0 mg/kg, respectively. Additionally, DDD85646 shows anti-leishmanial activity against Leishmania infantum and anti-trypanosomal activity against Trypanosoma cruzi. It also displays antimicrobial activity, cytotoxicity towards human MRC5 cells with an EC50 of 300.0 nM, and exhibits a moderate oral bioavailability of 19-20% in NMRI mice. Pharmacokinetic properties in mice include low blood clearance and volume of distribution, short half-life, and a brain-to-blood ratio of less than 0.1. The compound shows low inhibition of cytochrome P450 enzymes and human ERG at 1 uM, with inhibition levels below or equal to 10.0%, indicating minimal off-target effects. DDD85646 has a maximal tolerated dose of 100.0 mg/kg in orally twice-daily dosed mice and demonstrates moderate to low cytotoxicity against various cell lines, indicating a broad therapeutic potential..

Note: Summary generated by AI. Data source: ChEMBL

Bioactivity

Description	DDD85646 is an inhibitor of T. brucei N-myristoyltransferase with a Ki of 1.44 nM, an IC50 of 2 nM and an EC50 of 2 nM. The IC50 of hNMT is 4 nM.
Targets&IC50	NMT:1.44 nM(Ki, T. brucei), NMT:2 nM(EC50, T. brucei), NMT:2 nM(T. brucei), NMT:4 nM(human)
Synonyms	DDD-85646, DDD 85646

Chemical Properties

Molecular Weight	495.43
Formula	C₂₁H₂₄Cl₂N₆O₂S
Cas No.	1215010-55-1
Smiles	Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1
Relative Density.	1.48 g/cm3 (Predicted)

Storage & Solubility Information

Storage

Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.

Solubility Information

DMSO: 95 mg/mL (191.75 mM), Sonication is recommended.

In Vivo Formulation

10% DMSO+40% PEG300+5% Tween 80+45% Saline: 3.3 mg/mL (6.66 mM), Sonication is recommended.

Please add the solvents sequentially, clarifying the solution as much as possible before adding the next one. Dissolve by heating and/or sonication if necessary. Working solution is recommended to be prepared and used immediately. The formulation provided above is for reference purposes only. In vivo formulations may vary and should be modified based on specific experimental conditions.

Solution Preparation Table

DMSO

	1mg	5mg	10mg	50mg
1 mM	2.0184 mL	10.0922 mL	20.1845 mL	100.9224 mL
5 mM	0.4037 mL	2.0184 mL	4.0369 mL	20.1845 mL
10 mM	0.2018 mL	1.0092 mL	2.0184 mL	10.0922 mL
20 mM	0.1009 mL	0.5046 mL	1.0092 mL	5.0461 mL
50 mM	0.0404 mL	0.2018 mL	0.4037 mL	2.0184 mL
100 mM	0.0202 mL	0.1009 mL	0.2018 mL	1.0092 mL

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In Vivo Formulation Calculator (Clear solution)

Please enter your animal experiment information in the following box and click Calculate to obtain the stock solution preparation method and in vivo formula preparation method:

For example, if the intended dosage is 10 mg/kg for animals weighing 20 g , with a dosing volume of 100 μL per animal, TargetMol | Animal experiments

and a total of 10 animals are to be administered, using a formulation of TargetMol | reagent

10% DMSO+ 40% PEG300+ 5% Tween 80+ 45% Saline/PBS/ddH₂O , the resulting working solution concentration would be 2 mg/mL.

Stock Solution Preparation:

Dissolve 2 mg of the compound in 100 μL DMSO TargetMol | reagent to obtain a stock solution at a concentration of 20 mg/mL . If the required concentration exceeds the compound's known solubility, please contact us for technical support before proceeding.

Preparation of the In Vivo Formulation:

1) Add 100 μL of the DMSO TargetMol | reagent stock solution to 400 μL PEG300 and mix thoroughly until the solution becomes clear.

2) Add 50 μL Tween 80 and mix well until fully clarified.

3) Add 450 μL Saline,PBS or ddH₂O TargetMol | reagent and mix thoroughly until a homogeneous solution is obtained.

This example is provided solely to demonstrate the use of the In Vivo Formulation Calculator and does not constitute a recommended formulation for any specific compound. Please select an appropriate dissolution and formulation strategy based on your experimental model and route of administration.

All co-solvents required for this protocol, includingDMSO, PEG300/PEG400, Tween 80, SBE-β-CD, and Corn oil, are available for purchase on the TargetMol website.

Dose Conversion

You can also refer to dose conversion for different animals. More Dose Conversion

Tech Support

Please see Inhibitor Handling Instructions for more frequently ask questions. Topics include: how to prepare stock solutions, how to store products, and cautions on cell-based assays & animal experiments, etc