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| Other Sizes |
| Targets |
trans-Cyclohexane-1,2-diol is an endogenous metabolite and a human xenobiotic metabolite. It has a synergistic retardation effect on percutaneous absorption and penetration of metronidazole (MTZ), suggesting it may modulate drug delivery through the skin.
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| ln Vitro |
In vitro, trans-Cyclohexane-1,2-diol has a synergistic retardation effect on percutaneous absorption and penetration of metronidazole (MTZ). It is used in studies of skin permeation and drug delivery. As an endogenous metabolite, it is also used in metabolic research and studies of xenobiotic metabolism.
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| ln Vivo |
In vivo, trans-Cyclohexane-1,2-diol is an endogenously produced metabolite. It is a metabolite of cyclohexene oxide and other such compounds. Its synergistic retardation effect on percutaneous absorption and penetration of metronidazole suggests potential applications in transdermal drug delivery. Further studies are needed to characterize its full physiological role.
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| Enzyme Assay |
In vitro assays for trans-Cyclohexane-1,2-diol's effects on percutaneous absorption involve using Franz diffusion cells with skin membranes. The compound is applied with metronidazole, and the penetration of both compounds through the skin is measured by HPLC or LC-MS/MS. For metabolic studies, the compound is incubated with liver microsomes, and metabolites are analyzed by mass spectrometry.
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| Cell Assay |
For in vitro cell assays, skin cells (keratinocytes, fibroblasts) are cultured in medium supplemented with trans-Cyclohexane-1,2-diol at concentrations of 0.1-10 mM. Cell viability is assessed by MTT assay. The compound's effects on skin permeation and cell barrier function are evaluated by measuring transepithelial electrical resistance (TEER) and permeability to model compounds.
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| Animal Protocol |
For in vivo animal studies, trans-Cyclohexane-1,2-diol is administered to rodents via oral gavage, intraperitoneal injection, or topical application at doses of 10-100 mg/kg. Blood and tissue samples are collected for pharmacokinetic analysis. The compound and its metabolites are quantified by LC-MS/MS. Effects on metronidazole absorption and penetration are evaluated in skin permeation studies.
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| ADME/Pharmacokinetics |
trans-Cyclohexane-1,2-diol (MW 116.16) has a molecular formula of C6H12O2. It is soluble in water and organic solvents. The compound is stable under standard storage conditions. As an endogenous metabolite and human xenobiotic metabolite, it is absorbed and metabolized through normal metabolic pathways. It has a trans-configuration.
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| Toxicity/Toxicokinetics |
The compound is for research use only. No specific toxicity data are available. As an endogenous metabolite, it is expected to have low toxicity at physiological concentrations. Standard safety precautions should be followed.
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| Additional Infomation |
Trans-cyclohexane-1,2-diol is a cyclohexane-1,2-diol with a trans configuration. It is a metabolite of cyclohexene oxide and other similar compounds. It plays a role in the metabolism of endogenous substances in the human body.
trans-Cyclohexane-1,2-diol (CAS# 1460-57-7) is an endogenous metabolite and research reagent used primarily in studies of skin permeation, drug delivery, and xenobiotic metabolism. It has not been investigated in clinical trials nor approved as a therapeutic drug. The compound is a metabolite of cyclohexene oxide and has a synergistic retardation effect on percutaneous absorption of metronidazole. |
| Molecular Formula |
C6H12O2
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|---|---|
| Molecular Weight |
116.16
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| Exact Mass |
116.083
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| CAS # |
1460-57-7
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| PubChem CID |
92886
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
236.7±8.0 °C at 760 mmHg
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| Melting Point |
101-104 °C(lit.)
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| Flash Point |
114.3±13.0 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.527
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| LogP |
0.15
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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 |
0
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| Heavy Atom Count |
8
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| Complexity |
62.9
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C1CC[C@H]([C@@H](C1)O)O
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| InChi Key |
PFURGBBHAOXLIO-PHDIDXHHSA-N
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| InChi Code |
InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
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| Chemical Name |
(1R,2R)-cyclohexane-1,2-diol
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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: 100 mg/mL (860.88 mM)
DMSO: 50 mg/mL (430.44 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (21.52 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 (21.52 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 (21.52 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 110 mg/mL (946.97 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.6088 mL | 43.0441 mL | 86.0882 mL | |
| 5 mM | 1.7218 mL | 8.6088 mL | 17.2176 mL | |
| 10 mM | 0.8609 mL | 4.3044 mL | 8.6088 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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