| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
IC50: 0.101 μM (non-hydroxamate LpxC)[1]
LpxC (UDP-3-O-acyl-N-acetylglucosamine deacetylase), an essential enzyme in bacterial lipid A biosynthesis. TP0586532 inhibits LpxC, thereby blocking the synthesis of lipopolysaccharide (LPS) in Gram-negative bacteria, leading to bacterial cell death. |
|---|---|
| ln Vitro |
TP0586532, a substance that works well against K and has a minimal cardiovascular risk. pneumoniae, particularly those that are resistant[1].
TP0586532 inhibits LpxC with an IC₅0 of 0.101 microM. It is effective against K. pneumoniae, including carbapenem-resistant strains. It does not pose a cardiovascular risk, suggesting a favorable safety profile. |
| ln Vivo |
No in vivo activity data has been reported for TP0586532 in available literature. As a LpxC inhibitor, it has potential for treating Gram-negative bacterial infections, including those caused by drug-resistant strains.
|
| Enzyme Assay |
LpxC inhibition assays: TP0586532 is incubated with purified LpxC enzyme and its substrate (UDP-3-O-acyl-GlcNAc). Enzyme activity is measured by detecting the deacetylated product using HPLC or mass spectrometry. IC₅0 values are calculated from dose-response curves.
|
| Cell Assay |
Antibacterial susceptibility testing: TP0586532 is tested against a panel of Gram-negative bacteria, including K. pneumoniae and carbapenem-resistant strains. Minimum inhibitory concentrations (MICs) are determined using broth microdilution according to CLSI guidelines.
|
| Animal Protocol |
Animal models of K. pneumoniae infection (e.g., murine thigh infection model or pneumonia model) could be used to evaluate TP0586532 in vivo. Efficacy would be assessed by bacterial load reduction and survival.
|
| ADME/Pharmacokinetics |
TP0586532 has a molecular weight of 460.52 and a molecular formula of C2₆H2₈N4O4. It is a non-hydroxamate LpxC inhibitor. It is a low cardiovascular risk compound. Detailed PK parameters have not been reported.
|
| Toxicity/Toxicokinetics |
No detailed toxicity data has been published for TP0586532. It is described as a low cardiovascular risk compound, suggesting a favorable safety profile. As a research compound, it is not intended for human therapeutic use.
|
| References |
[1]. Ushiyama F, et al. Lead optimization of 2-hydroxymethyl imidazoles as non-hydroxamate LpxC inhibitors: Discovery of TP0586532. Bioorg Med Chem. 2021;30:115964.
|
| Additional Infomation |
TP0586532 is a non-hydroxamate LpxC inhibitor (IC₅0 = 0.101 microM). It is effective against carbapenem-resistant K. pneumoniae and does not pose a cardiovascular risk. The compound is for research use only and has not entered clinical trials.
|
| Molecular Formula |
C26H28N4O4
|
|---|---|
| Molecular Weight |
460.524926185608
|
| Exact Mass |
460.211
|
| CAS # |
2427584-96-9
|
| PubChem CID |
155294517
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
-0.6
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
9
|
| Heavy Atom Count |
34
|
| Complexity |
776
|
| Defined Atom Stereocenter Count |
3
|
| SMILES |
C[C@@H](C1=NC=CN1CC2=NOC(=C2)C3=CC=C(C=C3)C#CC4[C@H]5[C@@H]4CN(C5)CCCC(=O)O)O
|
| InChi Key |
PULUMLQUYYSBOR-BOSCWZPRSA-N
|
| InChi Code |
InChI=1S/C26H28N4O4/c1-17(31)26-27-10-12-30(26)14-20-13-24(34-28-20)19-7-4-18(5-8-19)6-9-21-22-15-29(16-23(21)22)11-2-3-25(32)33/h4-5,7-8,10,12-13,17,21-23,31H,2-3,11,14-16H2,1H3,(H,32,33)/t17-,21?,22-,23+/m0/s1
|
| Chemical Name |
4-[(1R,5S)-6-[2-[4-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid
|
| 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 |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : 50 mg/mL (108.57 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.43 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 25.0 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: ≥ 2.08 mg/mL (4.52 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 20.8 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: ≥ 2.08 mg/mL (4.52 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1715 mL | 10.8573 mL | 21.7146 mL | |
| 5 mM | 0.4343 mL | 2.1715 mL | 4.3429 mL | |
| 10 mM | 0.2171 mL | 1.0857 mL | 2.1715 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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