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| Other Sizes |
| Targets |
KSD 2405 is an endogenous metabolite with no defined high-affinity pharmacological receptor. It exhibits isomer-specific antileishmanial activity in vitro, but the precise molecular target has not been fully characterized. As a hydroxybenzyl alcohol, it may undergo metabolic conversion to benzoic acid derivatives. In fungal biosynthesis, it serves as an intermediate in the patulin biosynthetic pathway.
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| ln Vitro |
In vitro, KSD 2405 exhibits isomer-specific antileishmanial activity with an IC50 of 34,000 nM. It serves as a defined intermediate in fungal patulin biosynthesis with a Michaelis constant (Km) of 15 microM for the relevant biosynthetic enzyme. The compound is soluble in water and DMSO. No other significant in vitro bioactivity data is reported for this compound as a drug candidate.
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| ln Vivo |
KSD 2405 is an endogenous metabolite and has no established in vivo pharmacological activity as a therapeutic agent. It has not been tested in clinical trials or animal efficacy models for disease treatment. The compound is primarily used as an analytical standard. Positional isomers (2-HBA and 4-HBA) are used as reference materials in pharmaceutical quality control.
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| Enzyme Assay |
For in vitro enzyme assays, KSD 2405 is dissolved in DMSO or water to prepare stock solutions at concentrations of 10-100 mM. The compound is then diluted in assay buffer to working concentrations. For kinetics studies of fungal patulin biosynthesis, the enzyme (typically a dehydrogenase or oxidase) is incubated with KSD 2405 in appropriate buffer at 25-37degC. The reaction progress is monitored by UV-Vis spectrophotometry or LC-MS to determine Km and Vmax values.
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| Cell Assay |
For cell-based antileishmanial assays, Leishmania promastigotes are cultured in M199 medium supplemented with 10% FBS at 26degC. Parasites are seeded in 96-well plates at a density of 1-2×10⁶ cells/mL. KSD 2405 is added at various concentrations (typically 0-200 microM). Plates are incubated for 48-72 hours at 26degC. Cell viability is assessed using resazurin reduction assay (e.g., Alamar Blue) or MTT assay. The IC50 is calculated by nonlinear regression analysis of dose-response curves.
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| Animal Protocol |
KSD 2405 is not a therapeutic drug and no established in vivo animal protocols exist for this compound as a pharmacological agent. For general toxicology or PK studies, the compound would typically be administered to rodents via intravenous injection, intraperitoneal injection (e.g., 10-100 mg/kg), or oral gavage. Blood samples would be collected at multiple time points for LC-MS analysis. Such studies are not standard for this research-grade compound.
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| ADME/Pharmacokinetics |
KSD 2405 is not a drug and no specific pharmacokinetic parameters have been established for this compound. As a small, water-soluble aromatic alcohol, it is expected to be rapidly absorbed from the gastrointestinal tract, distributed to tissues, and metabolized primarily by conjugation reactions (glucuronidation, sulfation) and oxidation to benzoic acid derivatives. The elimination half-life in rodents would likely be less than 1-2 hours. Detailed PK studies have not been reported.
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| Toxicity/Toxicokinetics |
KSD 2405 has low acute toxicity as a research chemical. The LD50 has not been formally determined. As a substituted phenol, it may cause skin and eye irritation upon direct contact. The compound has a melting point of 69-72degC and a boiling point of 300degC. Standard laboratory precautions including gloves, safety glasses, and fume hood use are recommended when handling this compound. No carcinogenicity or reproductive toxicity data is available.
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| Additional Infomation |
3-Hydroxybenzyl alcohol is a hydroxybenzyl alcohol with the structure of phenol where a hydroxymethyl group is substituted at the C-3 position. It is a metabolite belonging to the phenolic and hydroxybenzyl alcohol classes. It has been reported to exist in Geosmithia langdonii, Dothiorella vidmadera, and other organisms with relevant data.
KSD 2405 is not a drug and has no approved therapeutic status, no clinical trial history, and is not intended for human consumption. It is used as an analytical standard for pharmaceutical quality control, as a reference standard in chemical analysis, and as a research reagent for studying fungal patulin biosynthesis. The compound is also known as 3-hydroxybenzyl alcohol, m-hydroxybenzyl alcohol, and 3-hydroxybenzenemethanol. It is available as a research chemical with ≥99% purity. |
| Molecular Formula |
C7H8O2
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|---|---|
| Molecular Weight |
124.14
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| Exact Mass |
124.052
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| CAS # |
620-24-6
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| PubChem CID |
102
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1,16 g/cm3
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| Boiling Point |
300°C
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| Melting Point |
69-72 °C(lit.)
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| Flash Point |
300°C
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| Index of Refraction |
1.5418 (25ºC)
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| LogP |
0.884
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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 |
1
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| Heavy Atom Count |
9
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| Complexity |
83
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=CC(=C1)O)CO
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| InChi Key |
OKVJCVWFVRATSG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2
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| Chemical Name |
3-(hydroxymethyl)phenol
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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) |
DMSO: 100 mg/mL (805.54 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (20.14 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 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 (20.14 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 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 (20.14 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 | 8.0554 mL | 40.2771 mL | 80.5542 mL | |
| 5 mM | 1.6111 mL | 8.0554 mL | 16.1108 mL | |
| 10 mM | 0.8055 mL | 4.0277 mL | 8.0554 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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