| Size | Price | Stock | Qty |
|---|---|---|---|
| 500g |
|
||
| Other Sizes |
| Targets |
Benzhydrol does not have a specific primary biological target, as it functions primarily as a chemical intermediate rather than a direct pharmacological agent. However, as the core structural component of the benzhydryl pharmacophore, its derivatives interact with various biological targets. Benzhydryl-containing drugs target histamine receptors (antihistamines), muscarinic acetylcholine receptors (anticholinergics), dopamine and norepinephrine transporters (modafinil), and calcium channels (cinnarizine). The compound's diphenylmethanol structure provides a rigid, lipophilic scaffold that can interact with hydrophobic pockets in proteins. Its hydroxyl group can form hydrogen bonds with biological targets, contributing to binding affinity and specificity. The compound's role as a precursor to various drugs means that its derivatives may target diverse biological pathways including histamine signaling, cholinergic signaling, and neurotransmitter reuptake.
|
|---|---|
| ln Vitro |
Many medications, including antihistamines, agrochemicals, fragrances, and other organic molecules use benzoyl alcohol as an intermediary. used in the perfume industry as a fixative. engages as a termination group in polymerization processes. utilized as a precursor in the synthesis of diphenhydramine, benztropine, and modafinil.
In vitro, benzhydrol is commonly employed in Grignard reactions, asymmetric synthesis, and as a precursor to antihistamines and other bioactive compounds. It serves as a valuable reagent in stereoselective transformations and polymer chemistry. It is an important organic intermediate used in the synthesis of various drugs including diphenhydramine, dimenhydrinate, cyclizine, diphenylpyraline, benztropine, modafinil, cinnarizine, and adrafinil. In medicinal chemistry, the compound serves as a building block for constructing benzhydryl-containing drug candidates. Its reactivity allows for the introduction of various functional groups through oxidation, halogenation, and substitution reactions. In organic synthesis, it is used as a versatile building block for creating complex molecules efficiently. |
| ln Vivo |
In vivo activity is mediated through the derivatives of benzhydrol rather than the parent compound itself. The drugs synthesized from benzhydrol, including antihistamines, anticholinergics, and central nervous system stimulants, are evaluated in animal models for therapeutic efficacy. For antihistamines, animal models of allergy and histamine-induced responses are used. For anticholinergics, animal models of Parkinson's disease and motion sickness are used. For modafinil and adrafinil, animal models of narcolepsy and cognitive enhancement are used. The parent compound itself is not administered in vivo, as it is a synthetic intermediate rather than a pharmacological agent.
|
| Enzyme Assay |
Cell-free assays for benzhydrol are focused on its use as a chemical reagent. Standard protocols for Grignard reactions involve reacting benzhydrol with appropriate reagents to form benzhydryl derivatives. For the synthesis of antihistamines and other drugs, the compound is used as a starting material in multi-step synthetic routes. The compound's reactivity can be studied using various analytical techniques including NMR spectroscopy, mass spectrometry, and HPLC. Its use in asymmetric synthesis involves the preparation of chiral benzhydrol derivatives for stereoselective transformations. The compound's oxidation to benzophenone can be studied using various oxidizing agents.
|
| Cell Assay |
Cellular assays are not performed with the parent compound benzhydrol. Instead, its derivatives, such as antihistamines and other drugs, are evaluated in cell-based systems. For antihistamines, cell lines expressing histamine receptors are treated with the derivatives, and receptor binding and signaling are measured. For anticholinergics, cell lines expressing muscarinic receptors are used. The parent compound itself is not used as a test article in cell-based experiments due to its role as a synthetic intermediate.
|
| Animal Protocol |
Animal studies are not conducted with the parent compound benzhydrol. Its derivatives, including antihistamines, anticholinergics, and central nervous system stimulants, are evaluated in animal models for therapeutic efficacy. The parent compound itself is not administered to animals, as it is a synthetic intermediate. Toxicity and pharmacological profiles for the parent compound are inferred from related benzhydryl derivatives.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for benzhydrol are not available, as the compound is primarily a chemical intermediate rather than a drug candidate. With a molecular weight of 184.23 g/mol and a melting point of 65-67 °C, the compound would be expected to have moderate lipophilicity and membrane permeability if administered. The compound is insoluble in water with a solubility of 0.52 g/L. Comprehensive pharmacokinetic studies including absorption, distribution, metabolism, and excretion have not been performed, as the compound is not intended for therapeutic use. For research purposes, the compound is typically handled as a neat chemical and not administered to living organisms for pharmacokinetic profiling.
|
| Additional Infomation |
Diphenylmethanol is a secondary alcohol, a compound formed by attaching a hydroxyl group to the 1-position of diphenylmethane. It is found in rats and is also a xenobiotic metabolite in bacteria, humans, and urine. Diphenylmethanol belongs to the class of secondary alcohols and is a member of the benzyl alcohol family. It is derived from the hydride of diphenylmethane.
Benzhydrol is a research chemical and synthetic intermediate, not an approved drug. It has no clinical trial or marketing approval status for therapeutic use. The compound serves as a core structural component of the benzhydryl pharmacophore, a privileged motif in numerous pharmaceuticals. It is commonly employed in Grignard reactions, asymmetric synthesis, and as a precursor to antihistamines and other bioactive compounds. It is an important organic intermediate used in the synthesis of various drugs including diphenhydramine, dimenhydrinate, cyclizine, diphenylpyraline, benztropine, modafinil, cinnarizine, and adrafinil. The compound has a molecular weight of 184.23 g/mol, a melting point of 65-67 °C, and a boiling point of 297-298 °C. It should be stored below +30 °C. |
| Molecular Formula |
C13H12O
|
|---|---|
| Molecular Weight |
184.23
|
| Exact Mass |
184.088
|
| CAS # |
91-01-0
|
| Related CAS # |
Diphenylmethanol-d5;95450-78-5
|
| PubChem CID |
7037
|
| Appearance |
White to off-white solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
299.0±0.0 °C at 760 mmHg
|
| Melting Point |
65-67 °C(lit.)
|
| Flash Point |
140.8±15.1 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.599
|
| LogP |
2.74
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
14
|
| Complexity |
137
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
OC(C1C=CC=CC=1)C1C=CC=CC=1
|
| InChi Key |
QILSFLSDHQAZET-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
|
| Chemical Name |
diphenylmethanol
|
| 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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| 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 | 5.4280 mL | 27.1400 mL | 54.2800 mL | |
| 5 mM | 1.0856 mL | 5.4280 mL | 10.8560 mL | |
| 10 mM | 0.5428 mL | 2.7140 mL | 5.4280 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
