| Size | Price | Stock | Qty |
|---|---|---|---|
| 10g |
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| Other Sizes |
| Targets |
(R,R)-(+)-Hydrobenzoin does not have a specific pharmacological target. It is primarily used as a chiral ligand and organocatalyst in asymmetric synthesis. As an endogenous metabolite, it may interact with enzymes in biological systems, but its primary role is in chemical synthesis. It can be used as a kinetic probe to study enzyme-mediated reactions or as a structural analysis agent.
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|---|---|
| ln Vitro |
(R,R)-(+)-Hydrobenzoin exhibits in vitro activity as an organocatalyst in asymmetric catalytic reactions. It is used as a chiral ligand or chiral auxiliary reagent to induce stereoselectivity in organic synthesis. It possesses antioxidant and free radical scavenging activities and DNA-radioprotective properties. It inhibits myeloperoxidase (MPO) activity by suppressing both the peroxidase and chlorination cycles in inflammatory cells.
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| ln Vivo |
In vivo, (R,R)-(+)-hydrobenzoin is not typically used as a therapeutic agent. Its primary applications are in chemical synthesis and as a research tool. As an endogenous metabolite, it may be involved in various physiological processes. Its antioxidant and MPO-inhibitory activities suggest potential anti-inflammatory effects, but these have not been extensively studied in vivo.
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| Enzyme Assay |
In vitro assays for (R,R)-(+)-hydrobenzoin are primarily chemical rather than biological. Its activity as an organocatalyst is assessed by monitoring the progress of asymmetric reactions using analytical techniques such as HPLC or NMR. Myeloperoxidase (MPO) activity assays can be performed to measure its inhibitory effects on the peroxidase and chlorination cycles. Antioxidant activity is assessed using DPPH or ABTS radical scavenging assays.
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| Cell Assay |
Cellular assays for (R,R)-(+)-hydrobenzoin are limited, as its primary use is as a chemical reagent. Its antioxidant and MPO-inhibitory activities can be studied in inflammatory cell models. Cells are treated with the compound, and MPO activity, ROS production, and inflammatory markers are measured. Cytotoxicity assays can be performed to assess its effects on cell viability.
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| Animal Protocol |
In vivo animal experiments with (R,R)-(+)-hydrobenzoin are not extensively documented, as the compound is primarily used as a chemical reagent. Its antioxidant and anti-inflammatory activities could be studied in animal models of inflammation or oxidative stress. However, such studies are not common.
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| ADME/Pharmacokinetics |
(R,R)-(+)-Hydrobenzoin is a small, lipophilic molecule with a molecular weight of 214.26 and a molecular formula of C14H14O2. It is soluble in organic solvents. Its pharmacokinetic properties have not been extensively characterized. The compound is typically stored at room temperature. Its primary role is as a chemical reagent, not a therapeutic agent.
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| Toxicity/Toxicokinetics |
(R,R)-(+)-Hydrobenzoin is considered to have low toxicity based on its use as a research compound and its occurrence as an endogenous metabolite. However, comprehensive toxicological evaluations have not been extensively published. The compound is intended for research use only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
(R,R)-hydrobenzoine is a hydrogenated benzoine and ethylene glycol derivative.
(R,R)-(+)-Hydrobenzoin is a chiral vicinal diol and an organic catalyst. It is used as a chiral ligand or chiral auxiliary reagent in asymmetric synthesis to induce stereoselectivity. It has antioxidant and free radical scavenging activities and inhibits myeloperoxidase (MPO) activity. It is also known as PD157933 and is used as a kinetic probe for enzyme-mediated reactions. |
| Molecular Formula |
C₁₄H₁₄O₂
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|---|---|
| Molecular Weight |
214.26
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| Exact Mass |
214.099
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| CAS # |
52340-78-0
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| PubChem CID |
853019
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| Appearance |
White to off-white solid powder
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| Density |
1.193g/cm3
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| Boiling Point |
373ºC at 760 mmHg
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| Melting Point |
146-149ºC(lit.)
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| Flash Point |
179.8ºC
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| Index of Refraction |
95 ° (C=1, CHCl3)
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| LogP |
2.453
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
16
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| Complexity |
171
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| Defined Atom Stereocenter Count |
2
|
| SMILES |
C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)O)O
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| InChi Key |
IHPDTPWNFBQHEB-ZIAGYGMSSA-N
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| InChi Code |
InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1
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| Chemical Name |
(1R,2R)-1,2-diphenylethane-1,2-diol
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| Synonyms |
(R,R)(+)Hydrobenzoin; (R,R) (+) Hydrobenzoin
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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 : ~100 mg/mL (~466.72 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 4.55 mg/mL (21.24 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 45.5 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 (11.67 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 (11.67 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 | 4.6672 mL | 23.3361 mL | 46.6723 mL | |
| 5 mM | 0.9334 mL | 4.6672 mL | 9.3345 mL | |
| 10 mM | 0.4667 mL | 2.3336 mL | 4.6672 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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