| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Penta-N-acetylchitopentaose targets enzymes involved in chito-oligosaccharide metabolism, serving as a substrate for the Rhizobium leguminosarum nodulation protein NodL. It is also produced by NodC, a chito-oligosaccharide synthase. As a carbohydrate component of lipo-chitooligosaccharides, it is involved in nodulation signaling. The compound's targets are bacterial enzymes involved in symbiotic nitrogen fixation rather than mammalian biological targets.
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| ln Vitro |
In vitro studies have demonstrated that Penta-N-acetylchitopentaose is a substrate for the Rhizobium leguminosarum nodulation protein NodL. It can be produced by NodC, a chito-oligosaccharide synthase. As a carbohydrate component of lipo-chitooligosaccharides, it is involved in nodulation. These in vitro findings support its applications in studying rhizobial symbiosis and nodulation signaling.
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| ln Vivo |
In vivo studies of Penta-N-acetylchitopentaose have focused on its role in rhizobial symbiosis and nodulation. The compound is involved in the nodulation process in legume-Rhizobium interactions. It serves as a substrate for nodulation proteins. However, comprehensive pharmacological studies are not applicable as the compound is not a therapeutic agent. The compound is intended for research use only.
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| Enzyme Assay |
In vitro enzyme assays for Penta-N-acetylchitopentaose typically involve testing its activity as a substrate for nodulation proteins such as NodL. Enzyme activity is measured by monitoring the modification of the compound using chromatographic methods. The compound's purity (>97.0%) and identity are confirmed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, high-performance liquid chromatography, and mass spectrometry. All assays are performed with appropriate controls.
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| Cell Assay |
In vitro cell-based assays for Penta-N-acetylchitopentaose involve culturing Rhizobium bacteria to evaluate its role in nodulation. Bacteria are treated with the compound and nodulation factor production is assessed. The compound's effects on bacterial growth and symbiosis are evaluated. All experiments are performed with appropriate controls to ensure statistical reliability.
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| Animal Protocol |
In vivo plant experiments for Penta-N-acetylchitopentaose are conducted in the context of legume-Rhizobium symbiosis studies. Legume plants are inoculated with Rhizobium bacteria in the presence of the compound and nodulation is assessed. Parameters assessed include nodule formation, nitrogen fixation, and plant growth. Control groups without the compound are included for comparison. All procedures comply with institutional guidelines for plant research.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Penta-N-acetylchitopentaose reflect its nature as a chito-oligosaccharide. It has a molecular weight of 1033.98 and the molecular formula C40H67N5O26. The compound is freely soluble in water (170 g/L at 25°C). It has a purity of >97.0%. As a hydrophilic oligosaccharide, it has limited absorption through biological membranes.
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| Toxicity/Toxicokinetics |
The toxicity profile of Penta-N-acetylchitopentaose has been evaluated in the context of its use as a research chemical. As a chito-oligosaccharide, it is expected to have low toxicity. The compound has a purity of >97.0%. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only.
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| References |
[1]. Arthur M. Nonomura. Safening high concentrations of phytocatalysts. WO2001062088A2.
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| Additional Infomation |
The structure given in the first document
Penta-N-acetylchitopentaose (CAS# 36467-68-2) has the molecular formula C40H67N5O26 and a molecular weight of 1033.98. The compound is a pentameric chito-oligosaccharide and a carbohydrate component of lipo-chitooligosaccharides. It is involved in nodulation and serves as a substrate for NodL. The compound is freely soluble in water and has a purity of >97.0%. |
| Molecular Formula |
C40H67N5O26
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|---|---|
| Molecular Weight |
1033.98
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| Exact Mass |
1033.407
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| CAS # |
36467-68-2
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| Related CAS # |
Tetra-N-acetylchitotetraose;2706-65-2;Hexa-N-acetylchitohexaose;38854-46-5
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| PubChem CID |
122361364
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| Appearance |
White to off-white solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
1496.7±65.0 °C at 760 mmHg
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| Melting Point |
285-295°C (dec.)
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| Flash Point |
859.0±34.3 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.636
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| LogP |
-4.27
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| Hydrogen Bond Donor Count |
17
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| Hydrogen Bond Acceptor Count |
26
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| Rotatable Bond Count |
22
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| Heavy Atom Count |
71
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| Complexity |
1780
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| Defined Atom Stereocenter Count |
21
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| SMILES |
[C@H]1(O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O)[C@H]1NC(=O)C)CO)O[C@H]1[C@H](O)[C@H]([C@H](O[C@H]2[C@H](O)[C@H](C(O)O[C@@H]2CO)NC(=O)C)O[C@@H]1CO)NC(=O)C
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| InChi Key |
DPTYILOGADPXRZ-VBTQHNIZSA-N
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| InChi Code |
InChI=1S/C40H67N5O26/c1-12(52)41-17(6-46)27(58)33(18(57)7-47)68-38-24(43-14(3)54)30(61)35(20(9-49)65-38)70-40-26(45-16(5)56)32(63)36(22(11-51)67-40)71-39-25(44-15(4)55)31(62)34(21(10-50)66-39)69-37-23(42-13(2)53)29(60)28(59)19(8-48)64-37/h6,17-40,47-51,57-63H,7-11H2,1-5H3,(H,41,52)(H,42,53)(H,43,54)(H,44,55)(H,45,56)/t17?,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37?,38+,39+,40?/m1/s1
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| Chemical Name |
N-[(3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
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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 |
| 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) |
H2O: 1.67 mg/mL (1.62 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 | 0.9671 mL | 4.8357 mL | 9.6714 mL | |
| 5 mM | 0.1934 mL | 0.9671 mL | 1.9343 mL | |
| 10 mM | 0.0967 mL | 0.4836 mL | 0.9671 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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