| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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Purity: ≥98%
Telacebec (Q203; IAP6) tosylate is an imidazopyridine amide (IAP) compound that block Mycobacterium tuberculosis growth by targeting the respiratory cytochrome bc1 complex. It has the potential for the treatment of tuberculosis. Q203 inhibited the growth of MDR and XDR M. tuberculosis clinical isolates in culture broth medium in the low nanomolar range and was efficacious in a mouse model of tuberculosis at a dose less than 1 mg per kg body weight, which highlights the potency of Q203. Q203 is active against the reference strain Mycobacterium tuberculosis H37Rv with MIC50s of 2.7 nM in culture broth medium and 0.28 nM inside macrophages. In addition, Q203 displays pharmacokinetic and safety profiles compatible with once-daily dosing. Together, these data indicate that Q203 is a promising new clinical candidate for the treatment of tuberculosis.
| Targets |
Mycobacterium tuberculosis H37Rv( MIC50=2.7 nM )
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| ln Vitro |
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| ln Vivo |
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| Enzyme Assay |
Microsomal stability assay. [1]
Compounds (2 μM final in 0.2% DMSO) were incubated with 0.5 mg mL−1 human (pool of 200, mixed gender), male dog, male rat or male mouse liver microsomes in potassium phosphate buffer. The reaction was initiated by the addition of NADPH and stopped either immediately or at 10, 20, 30 or 60 min for a precise estimate of clearance. A triple quadrupole Quattro Premier mass spectrometer with electrospray ionization (ESI) was employed for sample analysis. Samples were passed through trapping cartridges (Acquity BEH RP18 50 mm × 2.1 mm, 1.7 μm, Waters, Milford, MA) followed by an analytical column. The percentage of remaining compound was calculated by comparing with the initial quantity at 0 min. Half-life was then calculated using first-order reaction kinetics.
CYP450 inhibition assays. [1] The assay used individual fluorescent probe substrates with individual recombinant human cytochrome P450 (rhCYP) isozymes and a fluorescent detection according to previously published methods36. The probe substrates (in 0.5% DMSO) used for each isozyme were as follows: 7-benzyloxy-4-(trifluoromethyl)-coumarin for CYP3A4, 3-[2-(N,N-diethyl-N-methylammonium)ethyl]-7-methoxy-4-methylcoumarin (AMMC) for CYP2D6, 3-cyano-7-ethoxycoum (CEC) for 1A2 and 2C19 and 7-methoxy-4-(trifluoromethyl)-coumarin (MFC) for 2C9. Fluorescence was measured using Victor3 V multilabel plate reader. The IC50 was determined using an eight-point concentration curve with threefold serial dilution. |
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| Cell Assay |
Cytotoxicity.[1]
Cytotoxicity was tested against the human cell lines SH-SY5Y (brain), HEK293 (kidney) and HepG2 (liver) using the MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) viability assay as previously described.
ATP depletion assay on M. tuberculosis H37Rv.[1] M. tuberculosis H37Rv was exposed to the test compounds for 24 h (aerobiosis) or 5 d (anaerobiosis), mixed with an equal volume of BacTiter-Glo reagent and incubated in the dark for 10 min. Luminescence was recorded on a Victor3 V multilabel plate reader. |
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| Animal Protocol |
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| References |
Nat Med.2013 Sep;19(9):1157-60.
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| Molecular Formula |
C43H44CLF3N4O8S2
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| Molecular Weight |
901.41
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| Exact Mass |
900.224
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| Elemental Analysis |
C, 57.30; H, 4.92; Cl, 3.93; F, 6.32; N, 6.22; O, 14.20; S, 7.11
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| CAS # |
1566517-83-6
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| Related CAS # |
1334719-95-7;1566517-83-6 (ditosylate);
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| PubChem CID |
91617801
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| Appearance |
Typically exists as solid at room temperature
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
13
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
61
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| Complexity |
1000
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C=CC2=NC(CC)=C(C(NCC3C=CC(=CC=3)N3CCC(C4C=CC(=CC=4)OC(F)(F)F)CC3)=O)N2C=1.S(C1C=CC(C)=CC=1)(=O)(=O)O.S(C1C=CC(C)=CC=1)(=O)(=O)O
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| InChi Key |
CCGFTOLSNJBYDV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H28ClF3N4O2.2C7H8O3S/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2*2-5H,1H3,(H,8,9,10)
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| Chemical Name |
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;4-methylbenzenesulfonic acid
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.1094 mL | 5.5469 mL | 11.0937 mL | |
| 5 mM | 0.2219 mL | 1.1094 mL | 2.2187 mL | |
| 10 mM | 0.1109 mL | 0.5547 mL | 1.1094 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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