| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
GlyRS-IN-1 targets glycyl-tRNA synthetase (GlyRS), an essential enzyme in protein synthesis that catalyzes the attachment of glycine to its cognate tRNA. By inhibiting GlyRS, the compound disrupts translation and protein production in both bacterial and eukaryotic systems, making it a valuable tool for studying translation mechanisms and antibacterial target validation.
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| ln Vitro |
In vitro, GlyRS-IN-1 inhibits glycyl-tRNA synthase activity, leading to the suppression of bacterial growth. It serves as a chemical probe for studying the role of aminoacyl-tRNA synthetases in disease mechanisms. The compound is used in cell-free and cell-based assays to validate GlyRS as an antibacterial target.
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| ln Vivo |
In vivo activity data for GlyRS-IN-1 are limited, as the compound is primarily used as a research tool in in vitro studies. Its antibacterial activity suggests potential applications in animal models of bacterial infection, but specific in vivo efficacy data have not been extensively reported in the available literature.
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| Enzyme Assay |
In vitro enzyme assays for GlyRS-IN-1 are performed using purified recombinant GlyRS enzyme. The compound is incubated with the enzyme, ATP, glycine, and tRNAGly in a reaction buffer. GlyRS activity is measured by monitoring the formation of glycyl-tRNA or the release of pyrophosphate (PPi) using colorimetric or luminescence-based detection methods. IC50 values are determined from dose-response curves.
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| Cell Assay |
Cellular assays for GlyRS-IN-1 are conducted using bacterial cultures to assess growth inhibition. Minimum inhibitory concentrations (MICs) are determined by broth microdilution following standard guidelines. The compound is also tested in eukaryotic cell lines to evaluate selectivity and cytotoxicity. Cells are treated with serial dilutions (0.1-100 uM) for 24-48 hours, and viability is assessed by MTT or resazurin-based assays.
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| Animal Protocol |
In vivo animal studies for GlyRS-IN-1 are not well-established in the literature. As an antibacterial research compound, it could potentially be evaluated in mouse models of bacterial infection, administered via intraperitoneal or oral routes. However, specific protocols and efficacy data have not been reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of GlyRS-IN-1 have not been extensively characterized. The compound has a molecular weight of 403.37 and is soluble in DMSO (100 mg/mL). It is typically stored as a powder at -20degC and formulated for in vitro use. No specific PK parameters have been reported in the literature.
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| Toxicity/Toxicokinetics |
Toxicological data for GlyRS-IN-1 are limited. As a research compound targeting protein synthesis, standard safety assessments would include evaluation of cytotoxicity in mammalian cell lines to assess selectivity. No significant toxicity has been reported in the available literature. The compound is for research use only.
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| References | |
| Additional Infomation |
GlyRS-IN-1 is a research-use compound disclosed in patent WO 2017066459 A1. It serves as a chemical probe for investigating the role of aminoacyl-tRNA synthetases in translation mechanisms, antibacterial target validation, and the development of novel antibiotics against drug-resistant bacteria. The compound is not approved for clinical therapeutic applications.
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| Molecular Formula |
C12H17N7O7S
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|---|---|
| Molecular Weight |
403.371080160141
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| Exact Mass |
403.091
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| CAS # |
112921-11-6
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| PubChem CID |
9909127
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| Appearance |
White to off-white solid powder
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| Density |
2.1±0.1 g/cm3
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| Index of Refraction |
1.865
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| LogP |
-1.69
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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 |
27
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| Complexity |
647
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| Defined Atom Stereocenter Count |
4
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| SMILES |
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N
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| InChi Key |
AMWPZASLDLLQFT-JJNLEZRASA-N
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| InChi Code |
InChI=1S/C12H17N7O7S/c13-1-6(20)18-27(23,24)25-2-5-8(21)9(22)12(26-5)19-4-17-7-10(14)15-3-16-11(7)19/h3-5,8-9,12,21-22H,1-2,13H2,(H,18,20)(H2,14,15,16)/t5-,8-,9-,12-/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-aminoacetyl)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: 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 : ~100 mg/mL (~247.91 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (4.14 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 (4.14 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 (4.14 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 | 2.4791 mL | 12.3956 mL | 24.7911 mL | |
| 5 mM | 0.4958 mL | 2.4791 mL | 4.9582 mL | |
| 10 mM | 0.2479 mL | 1.2396 mL | 2.4791 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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