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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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Other Sizes |
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Purity: ≥98%
AX20017 is a highly selective low-molecular-weight inhibitor of protein kinase G (PknG) with an IC50 of 0.39 μM. The pathogenicity of mycobacteria such as Mycobacterium tuberculosis is closely associated with their capacity to survive within host macrophages. A crucial virulence factor for intracellular mycobacterial survival is protein kinase G (PknG), a eukaryotic-like serine/threonine protein kinase expressed by pathogenic mycobacteria that blocks the intracellular degradation of mycobacteria in lysosomes. In the 2.4 A x-ray crystal structure of PknG in complex with AX20017, the compound AX20017 is bound deep within a narrow pocket formed by the inter lobe cleft of the PknG domain. The structure of PknG-AX20017 further reveals that the inhibitor is buried deep within the adenosine-binding site, targeting an active conformation of the kinase domain. Remarkably, although the topology of the kinase domain is reminiscent of eukaryotic kinases, the AX20017-binding pocket is shaped by a unique set of amino acid side chains that are not found in any human kinase. Directed mutagenesis of the unique set of residues resulted in a drastic loss of the compound's inhibitory potency.The results explain the specific mode of action of AX20017 and demonstrate that virulence factors highly homologous to host molecules can be successfully targeted to block the proliferation of M. tuberculosis.
ln Vitro |
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ln Vivo |
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Animal Protocol |
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References |
Bioinformation.2011;7(1):1-4. Epub 2011 Aug 20.Proc Natl Acad Sci U S A.2007 Jul 17;104(29):12151-6. Epub 2007 Jul 6.
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Molecular Formula |
C₁₃H₁₆N₂O₂S
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Molecular Weight |
264.34
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Exact Mass |
268.12
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Elemental Analysis |
C, 58.18; H, 7.51; N, 10.44; O, 11.92; S, 11.95
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CAS # |
329221-38-7
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Related CAS # |
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Appearance |
Solid powder
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SMILES |
O=C(C1C(NC(C2CC2)=O)SC3C1CCCC3)N
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InChi Key |
IEETZPYULYBOCV-UHFFFAOYSA-N
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InChi Code |
InChI=1S/C13H20N2O2S/c14-11(16)10-8-3-1-2-4-9(8)18-13(10)15-12(17)7-5-6-7/h7-10,13H,1-6H2,(H2,14,16)(H,15,17)
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Chemical Name |
2-(Cyclopropanecarbonylamino)-2,3,3a,4,5,6,7,7a-octahydro-1-benzothiophene-3-carboxamide
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Synonyms |
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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 |
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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) |
DMSO : 53~130 mg/mL ( 200.49~491.79 mM )
Ethanol : ~3 mg/mL |
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Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.25 mg/mL (12.29 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 32.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 2: 10% DMSO+90% Corn Oil: ≥ 3.25 mg/mL (12.29 mM)  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 3.7830 mL | 18.9150 mL | 37.8301 mL | |
5 mM | 0.7566 mL | 3.7830 mL | 7.5660 mL | |
10 mM | 0.3783 mL | 1.8915 mL | 3.7830 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.