| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 25mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
Xylotetraose targets xylanase (endo-1,4-β-xylanase, e.g., family 11 xylanase, XynII) (binding free energy = -35.2 kJ/mol for XynII-xylotetraose complex via MM-PBSA analysis; acts as a specific substrate for xylanase) [3]
Xylotetraose binds to Penicillium griseofulvum family 11 xylanase (substrate specificity constant kcat/Km = 2.8 × 10⁴ M⁻¹s⁻¹) [4] |
|---|---|
| ln Vitro |
- Substrate for xylanase-catalyzed hydrolysis: Xylotetraose is a specific substrate for endo-1,4-β-xylanases from various sources (Bacillus sp., Penicillium griseofulvum, Trichoderma reesei). It is hydrolyzed by xylanase to produce xylobiose, xylotriose, and xylose, with hydrolysis efficiency positively correlated with enzyme affinity [1][4]
- Binding mode with xylanase: The compound binds to the active site of xylanase (XynII) via hydrogen bonds and hydrophobic interactions. The reactive sugar residue adopts both skew boat and chair conformations in the binding pocket, with the chair conformation being more favorable for catalysis [3] - Modulation of xylanase-substrate interactions: Xylotetraose contains regular β-1,4-xylosyl motifs that enhance molecular flexibility, promoting its interaction with cellulose surfaces and xylanase active sites. It shows higher binding affinity to family 11 xylanases than shorter xylooligosaccharides (xylobiose, xylotriose) [2][4] - Specificity for xylanase families: Xylotetraose is specifically recognized by family 11 xylanases but not by other glycoside hydrolases (e.g., cellulases, β-xylosidases), confirming xylanase-specific substrate activity [4] |
| Enzyme Assay |
- Xylanase catalytic activity assay: Recombinant xylanase (family 11, e.g., XynII or Penicillium griseofulvum xylanase) was mixed with Xylotetraose (1-10 mM) in reaction buffer (pH 5.0-6.0, 50°C). The mixture was incubated for 0-120 minutes, and hydrolysis products (xylose, xylobiose) were quantified by high-performance liquid chromatography (HPLC) with a carbohydrate column. Kinetic parameters (kcat, Km, kcat/Km) were calculated [4]
- MM-PBSA free energy analysis: Molecular dynamics (MD) simulations of the xylanase-Xylotetraose complex were performed for 10 ns in aqueous solution. Binding free energy was calculated using the MM-PBSA method, with contributions from van der Waals forces, electrostatic interactions, and solvation energy analyzed to characterize binding stability [3] - Xylanase-substrate binding assay: Xylotetraose was labeled with a fluorescent probe, and mixed with purified xylanase at gradient concentrations (0.1-10 μM) in binding buffer (pH 5.5). Fluorescence polarization was measured to determine binding affinity, with dissociation constant (KD) derived from binding isotherms [4] |
| References |
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| Additional Infomation |
Chemical Classification: Xylotetrasaccharide is a linear xylo-oligosaccharide composed of four D-xylose residues linked by β-1,4-glycosidic bonds [1][2][3][4] - Mechanism of Action: As a natural substrate for endo-1,4-β-xylanase, xylotetrasaccharide binds to the active site of the enzyme, inducing conformational changes that promote the hydrolysis of β-1,4-glycosidic bonds. Its regular xylose motif enhances the flexibility of the molecule and promotes specific interactions with xylanase and the surface of cellulose [2][3][4] - Biological Background: Xylotetrasaccharide is the main product of xylanase hydrolysis of xylan (a key component of plant cell walls). Xylanase plays a crucial role in biomass degradation because xylanase-mediated hydrolysis of xylan into xylo-oligosaccharides (including xylotetrasaccharide) is essential for the conversion of plant biomass into fermentable sugars [1][2].
- Applications: Xylotetrasaccharide can be used as a specific substrate for xylanase activity assays, enzyme characterization, and xylanase-substrate interaction studies. It can also be used as a model compound for studying the structure-function relationship of xylanase and the mechanism of plant cell wall degradation [1][3][4]. |
| Molecular Formula |
C20H34O17
|
|---|---|
| Molecular Weight |
546.4738
|
| Exact Mass |
546.18
|
| CAS # |
22416-58-6
|
| PubChem CID |
101601989
|
| Appearance |
White to off-white solid powder
|
| LogP |
-7.4
|
| Hydrogen Bond Donor Count |
10
|
| Hydrogen Bond Acceptor Count |
17
|
| Rotatable Bond Count |
10
|
| Heavy Atom Count |
37
|
| Complexity |
714
|
| Defined Atom Stereocenter Count |
15
|
| SMILES |
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O[C@H](CO)[C@@H]([C@H](C=O)O)O)O)O)O
|
| InChi Key |
JVZHSOSUTPAVII-MESLASACSA-N
|
| InChi Code |
InChI=1S/C20H34O17/c21-1-6(23)11(25)8(2-22)35-19-16(30)13(27)10(4-33-19)37-20-17(31)14(28)9(5-34-20)36-18-15(29)12(26)7(24)3-32-18/h1,6-20,22-31H,2-5H2/t6-,7+,8+,9+,10+,11+,12-,13-,14-,15+,16+,17+,18-,19-,20-/m0/s1
|
| Chemical Name |
(2R,3R,4R)-4-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-2,3,5-trihydroxypentanal
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
H2O : ~125 mg/mL (~228.74 mM)
DMSO : ~100 mg/mL (~182.99 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.57 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: ≥ 2.5 mg/mL (4.57 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 25.0 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: ≥ 2.5 mg/mL (4.57 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 | 1.8299 mL | 9.1496 mL | 18.2993 mL | |
| 5 mM | 0.3660 mL | 1.8299 mL | 3.6599 mL | |
| 10 mM | 0.1830 mL | 0.9150 mL | 1.8299 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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