Size | Price | Stock | Qty |
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5mg |
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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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500mg |
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Other Sizes |
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Purity: ≥98%
DprE1-IN-1 (AZ-7371;TBA-7371), a1,4-azaindole analog, is a potent andnoncovalentinhibitor of decaprenylphosphoryl-β-d-ribose-2'-epimerase (DprE1) with a potential to become a drug candidate for treatment of tuberculosis. It inhibits DprE1 with ic50 of 10 nM; it also inhibits PDE6 with IC50 of 6 uM. Itdemonstrats efficacy in a rodent model of tuberculosis, making it promising for further development. DprE1-IN-1 hasexcellent in vitro and in vivo antimycobacterial potency through noncovalent inhibition of decaprenylphosphoryl-β-d-ribose-2'-epimerase (DprE1). Nevertheless, high mouse metabolic turnover and phosphodiesterase 6 (PDE6) off-target activity limited its advancement. In summary,DprE1-IN-1is a promising candidate for the development of a novel anti-TB drug.
Targets |
DprE1
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ln Vitro |
DprE1-IN-1, a1,4-azaindole analog, is a potent inhibitor of decaprenylphosphoryl-β-d-ribose-2-epimerase (DprE1) with ic50 of 10 nM; it also inhibits PDE6 with IC50 of 6 uM. Itdemonstrats efficacy in a rodent model of tuberculosis, making it promising for further development. DprE1-IN-1 hasexcellent in vitro and in vivo antimycobacterial potency through noncovalent inhibition of decaprenylphosphoryl-β-d-ribose-2-epimerase (DprE1). Nevertheless, high mouse metabolic turnover and phosphodiesterase 6 (PDE6) off-target activity limited its advancement. In summary,DprE1-IN-1is a promising candidate for the development of a novel anti-TB drug.Kinase Assay:DprE1-IN-1, a1,4-azaindole analog, is a potent inhibitor of decaprenylphosphoryl-β-d-ribose-2-epimerase (DprE1) with ic50 of 10 nM; it also inhibits PDE6 with IC50 of 6 uM.
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ln Vivo |
DprE1-IN-1 demonstrats efficacy in a rodent model of tuberculosis, making it promising for further development.The pharmacokinetic profile of DprE1-IN-1 as a representative of the series in mice, rats, and dogs was determined after i.v. and oral dosing. DprE1-IN-1 shows oral bioavailabilities of 86% and 100% in rats and dogs, respectively. The oral exposures of DprE1-IN-1, assessed in infected animals, shows AUCs ranging from 166 to 240 μM · h, and free plasma concentrations were maintained above the MIC for 10 to 24 h.
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Animal Protocol |
Rodent model of tuberculosis; Oral
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References |
Molecular Formula |
C18H21N5O3
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Molecular Weight |
355.391043424606
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Exact Mass |
355.16
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Elemental Analysis |
C, 60.83; H, 5.96; N, 19.71; O, 13.51
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CAS # |
1494675-86-3
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Related CAS # |
1494675-86-3
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Appearance |
Solid powder
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SMILES |
O=C(C1=CN(CC2=NC=NC(OC)=C2C)C3=CC(C)=CN=C31)NCCO
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InChi Key |
VDRYGTNDKXIPSK-UHFFFAOYSA-N
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InChi Code |
InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25)
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Chemical Name |
N-(2-hydroxyethyl)-1-((6-methoxy-5-methylpyrimidin-4-yl)methyl)-6-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
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Synonyms |
AZ7371;TBA7371;AZ-7371;TBA 7371;AZ 7371; TBA-7371
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HS Tariff Code |
2934.99.03.00
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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)
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Solubility (In Vitro) |
DMSO: ~25 mg/mL (~70.35 mM)
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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 | 2.8138 mL | 14.0691 mL | 28.1381 mL | |
5 mM | 0.5628 mL | 2.8138 mL | 5.6276 mL | |
10 mM | 0.2814 mL | 1.4069 mL | 2.8138 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.