| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| Other Sizes |
| Targets |
4,4-Diphenylbutylamine hydrochloride targets the 5-HT2A receptor and the H1 (histamine) receptor. It exhibits Ki values of 2589 nM for 5-HT2A and 1670 nM for H1 receptors. By binding to these receptors, the compound may modulate serotonergic and histaminergic signaling pathways. Its affinity for these receptors makes it a useful tool for studying receptor-ligand interactions and for use as a chemical intermediate.
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| ln Vitro |
In vitro, 4,4-Diphenylbutylamine hydrochloride shows affinity for the 5-HT2A and H1 receptors with Ki values of 2589 and 1670 nM, respectively. The compound's receptor binding profile supports its use in receptor-binding assays and functional studies. It is primarily used as a chemical intermediate in pharmaceutical and chemical synthesis rather than as a pharmacological tool. Its relatively low affinity for these receptors suggests it may have limited direct biological activity.
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| ln Vivo |
In vivo, 4,4-Diphenylbutylamine hydrochloride has no known therapeutic or biological effects. As a chemical intermediate, it is not typically used for therapeutic or pharmacological studies. Its primary applications are in chemical synthesis and as a reference standard for analytical purposes. The compound is not intended for human consumption and is for research use only. Comprehensive in vivo pharmacological studies are limited.
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| Enzyme Assay |
For non-cell-based receptor binding assays, 4,4-Diphenylbutylamine hydrochloride can be evaluated using membrane preparations from cells expressing human 5-HT2A or H1 receptors. Radioligand binding displacement experiments are performed using suitable radiolabeled ligands such as [3H]-ketanserin for 5-HT2A or [3H]-pyrilamine for H1. Membrane homogenates are incubated with increasing concentrations of the test compound and a fixed concentration of the radioligand at room temperature for 60-90 minutes. Bound radioligand is separated from free by rapid filtration through glass fiber filters. Non-specific binding is determined in the presence of excess unlabeled ligand. Ki values are calculated from displacement curves using nonlinear regression analysis.
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| Cell Assay |
For in vitro cellular assays, 4,4-Diphenylbutylamine hydrochloride is not typically used for cell-based functional assays due to its primary role as a chemical intermediate. However, it may be used in studies of receptor binding or as a control compound in assays investigating 5-HT2A or H1 receptor pharmacology. Cells expressing these receptors can be cultured and treated with the compound to assess its effects on receptor signaling pathways, but its relatively low affinity limits its utility as a pharmacological tool.
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| Animal Protocol |
For in vivo animal studies, 4,4-Diphenylbutylamine hydrochloride is not typically used for therapeutic or pharmacological studies. Its primary applications are in chemical synthesis and as a reference standard. The compound is not intended for human consumption and is for research use only. Comprehensive in vivo pharmacological studies are not available, and the compound is not used for therapeutic applications in animals.
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| ADME/Pharmacokinetics |
4,4-Diphenylbutylamine hydrochloride has a molecular weight of 261.79 and a molecular formula of C16H20ClN. It is supplied as a white to off-white solid with a purity of ≥95%. It is soluble in DMSO at 66.67 mg/mL (254.67 mM). The compound should be stored at -20°C for up to 3 years or at 4°C for up to 2 years. In solvent, it can be stored at -80°C for 6 months or at -20°C for 1 month.
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| Toxicity/Toxicokinetics |
The toxicity profile of 4,4-Diphenylbutylamine hydrochloride has not been extensively reported. As a chemical intermediate, potential toxicities may include irritation to skin, eyes, and respiratory tract. The compound is for research use only and is not intended for human consumption. Standard safety precautions should be observed when handling the compound, including appropriate personal protective equipment and proper ventilation.
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| References | |
| Additional Infomation |
4,4-Diphenylbutylamine hydrochloride (CAS 22101-90-2) is an organic amine salt commonly used as an intermediate in pharmaceutical and chemical synthesis. It shows affinity for the 5-HT2A and H1 receptors with Ki values of 2589 and 1670 nM, respectively. It is supplied as a white to off-white solid with a purity of ≥95%. It is available for research purposes only and is not intended for human consumption.
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| Molecular Formula |
C16H20CLN
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|---|---|
| Molecular Weight |
261.789703369141
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| Exact Mass |
261.128
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| CAS # |
22101-90-2
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| PubChem CID |
140097275
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
18
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| Complexity |
172
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(C1C=CC=CC=1)(C1C=CC=CC=1)CCCN.Cl
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| InChi Key |
MQFLILPZNNSOGK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H19N.ClH/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15;/h1-6,8-11,16H,7,12-13,17H2;1H
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| Chemical Name |
4,4-diphenylbutan-1-amine;hydrochloride
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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: Please store this product in a sealed and protected environment, 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: 66.67 mg/mL (254.67 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.55 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 (9.55 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 (9.55 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 | 3.8199 mL | 19.0993 mL | 38.1986 mL | |
| 5 mM | 0.7640 mL | 3.8199 mL | 7.6397 mL | |
| 10 mM | 0.3820 mL | 1.9099 mL | 3.8199 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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