| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Salicyl-AMS targets mycobactin biosynthesis in mycobacteria, inhibiting the enzymes involved in siderophore production, thereby disrupting iron acquisition and inhibiting the growth of Mycobacterium tuberculosis under iron-limited conditions.
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|---|---|
| ln Vitro |
In vitro studies demonstrate that Salicyl-AMS inhibits the growth of Mycobacterium tuberculosis under iron-deficient conditions, with activity dependent on iron limitation; it also serves as a substrate in enzyme assays for studying sulfotransferases and other biotransformation enzymes.
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| ln Vivo |
In vivo efficacy of Salicyl-AMS has been demonstrated in animal models of tuberculosis, where inhibition of mycobactin biosynthesis leads to reduced bacterial burden and improved outcomes, supporting its potential as an anti-tuberculosis therapeutic.
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| Enzyme Assay |
The in vitro enzyme assay for mycobactin biosynthesis inhibition involves incubating Salicyl-AMS with recombinant or native mycobacterial enzymes involved in siderophore biosynthesis (e.g., salicylate-AMP ligase) and measuring the inhibition of enzymatic activity via HPLC or mass spectrometry detection of reaction products, with IC50 values calculated from concentration-response curves.
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| Cell Assay |
In vitro cell culture studies utilize Mycobacterium tuberculosis cultures grown under iron-limited conditions, treating with Salicyl-AMS and assessing bacterial growth by measuring optical density at 600 nm or by colony counting on agar plates; the compound's activity is evaluated in iron-rich conditions as a control.
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| Animal Protocol |
In vivo animal experiments involve administering Salicyl-AMS to mouse models of tuberculosis infection (e.g., aerosol or intravenous challenge with M. tuberculosis), with compound administered via oral or parenteral routes, bacterial burden assessed in lungs and spleen by colony counting, and survival outcomes monitored.
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| ADME/Pharmacokinetics |
Salicyl-AMS has a molecular weight of 466.43 g/mol and is typically stored as a solid powder at -20°C; it is soluble in DMSO and aqueous buffers, with purity ≥95% and stability maintained under recommended storage conditions.
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| Toxicity/Toxicokinetics |
Toxicological data for Salicyl-AMS are limited; as a siderophore biosynthesis inhibitor, it has potential for selective toxicity against mycobacteria with reduced host cell toxicity, though comprehensive in vivo toxicity studies are needed for clinical development; it is currently classified as a research compound.
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| Additional Infomation |
Salicyl-AMS is a research compound with significant potential as an anti-tuberculosis agent, targeting a novel pathway distinct from existing antibiotics; it has not been approved for clinical use and serves as a valuable tool for studying iron metabolism in mycobacteria and for developing new therapeutic strategies against drug-resistant tuberculosis.
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| Molecular Formula |
C17H18N6O8S
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|---|---|
| Molecular Weight |
466.425221920013
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| Exact Mass |
466.09
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| CAS # |
863238-55-5
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| PubChem CID |
636430
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
-1
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
32
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| Complexity |
784
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| Defined Atom Stereocenter Count |
4
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| SMILES |
C1=CC=C(C(=C1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O
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| InChi Key |
SABYITLYKSVAAD-CNEMSGBDSA-N
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| InChi Code |
InChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1
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| Chemical Name |
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(2-hydroxybenzoyl)sulfamate
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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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 : ≥ 90.5 mg/mL (~194.03 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (3.58 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 16.7 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: ≥ 1.67 mg/mL (3.58 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 16.7 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: ≥ 1.67 mg/mL (3.58 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 | 2.1439 mL | 10.7197 mL | 21.4394 mL | |
| 5 mM | 0.4288 mL | 2.1439 mL | 4.2879 mL | |
| 10 mM | 0.2144 mL | 1.0720 mL | 2.1439 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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