| Size | Price | |
|---|---|---|
| Other Sizes |
Purity: ≥98%
| Targets |
Biochemical reagent
Iminodibenzyl is a synthetic intermediate and drug precursor rather than a direct pharmacological agent. As a building block, it does not have specific biological receptors as its primary targets. The dibenzoazepine scaffold is a privileged structure in medicinal chemistry, found in various pharmaceuticals including antipsychotics and anticonvulsants. The compound is an important drug intermediate used for the synthesis of medicines for the treatment of mania and epilepsy. It is also used as a hydrogenating and reducing agent in transition metal-catalyzed reactions. |
|---|---|
| ln Vitro |
Carbamazepine, an anti-epileptic drug, can be substituted with imimodibenzyl as an intermediary.
In vitro, iminodibenzyl is used as a biochemical reagent and organic compound for biomedical research. It is an important drug intermediate used for the synthesis of medicines for the treatment of mania and epilepsy. It is also employed as a catalyst and reducing agent in organic synthesis. Cellular assays are typically performed on the final pharmaceutical compounds synthesized from this intermediate rather than on the intermediate itself. The compound's dibenzoazepine scaffold allows for various chemical transformations. |
| ln Vivo |
In vivo, iminodibenzyl is a key intermediate for the synthesis of pharmaceuticals used to treat mania and epilepsy. The compound itself is not used therapeutically but serves as a precursor for active pharmaceutical ingredients. Its primary value lies in its use as a synthetic intermediate for preparing various pharmaceuticals. Specific in vivo data for the parent compound is not available in the public literature. The compound is not a therapeutic agent itself.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays for iminodibenzyl are not typically performed, as it is primarily a synthetic intermediate. The compound is used as a building block in the synthesis of pharmaceuticals for mania and epilepsy. A typical assay involves using the compound in chemical reactions to prepare final compounds. The compound is dissolved in organic solvents such as DMSO or ethanol. The resulting products can be evaluated for biological activity. Receptor binding or enzyme inhibition assays can be performed on the final synthesized compounds. IC₅₀ or binding affinity values are calculated from dose-response curves.
|
| Cell Assay |
Cellular assays for iminodibenzyl are not standard, as the compound is primarily a synthetic intermediate. The compound is used in the preparation of pharmaceuticals for neurological and psychiatric disorders. A typical protocol for evaluating the biological activity of synthesized compounds involves culturing appropriate cell lines in growth medium at 37°C with 5% CO₂. Cells are treated with synthesized compounds at varying concentrations for 24-72 hours. Cell viability, proliferation, or specific signaling readouts are assessed. IC₅₀ or EC₅₀ values are calculated from dose-response curves.
|
| Animal Protocol |
In vivo animal studies for iminodibenzyl are not standard, as it is a synthetic intermediate rather than a therapeutic candidate. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would typically be conducted on the final pharmaceuticals synthesized using this building block. These studies would evaluate efficacy in disease models, pharmacokinetics, and safety in appropriate animal models. The compound's primary value lies in its use as a synthetic intermediate.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for iminodibenzyl is limited, as it is primarily a research reagent. The compound has a molecular weight of 195.26 g/mol and a molecular formula of C₁₄H₁₃N. It is a solid at room temperature with a melting point of 105-108°C. As a dibenzoazepine, it may undergo metabolic oxidation and conjugation. Specific ADME data is not available. The compound is stored in a dry, cool place.
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| Toxicity/Toxicokinetics |
Iminodibenzyl is classified for research use only and is not intended for human or veterinary applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values are available in the public domain.
|
| References |
[1]. https://pubchem.ncbi.nlm.nih.gov/compound/10308
|
| Additional Infomation |
The core structure of clomipramine
Iminodibenzyl (10,11-Dihydro-5H-dibenzo[b,f]azepine, CAS 494-19-9) is a biochemical reagent with the molecular formula C₁₄H₁₃N. It is an important drug intermediate used for the synthesis of medicines for the treatment of mania and epilepsy and is also employed as a catalyst and reducing agent in organic synthesis. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. |
| Molecular Formula |
C14H13N
|
|---|---|
| Molecular Weight |
195.26
|
| Exact Mass |
195.104
|
| CAS # |
494-19-9
|
| PubChem CID |
10308
|
| Appearance |
Off-white to yellow solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
327.7±32.0 °C at 760 mmHg
|
| Melting Point |
105-108 °C(lit.)
|
| Flash Point |
161.3±20.6 °C
|
| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.603
|
| LogP |
4.03
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
15
|
| Complexity |
191
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
N1([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C12
|
| InChi Key |
ZSMRRZONCYIFNB-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2
|
| Chemical Name |
6,11-dihydro-5H-benzo[b][1]benzazepine
|
| Synonyms |
Iminodibenzyl; 494-19-9; 10,11-Dihydro-5H-dibenzo[b,f]azepine; Iminobibenzyl; 10,11-Dihydro-5H-dibenz[b,f]azepine;
|
| 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) |
DMSO: ~100 mg/mL (512 mM)
|
|---|---|
| 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 | 5.1214 mL | 25.6069 mL | 51.2138 mL | |
| 5 mM | 1.0243 mL | 5.1214 mL | 10.2428 mL | |
| 10 mM | 0.5121 mL | 2.5607 mL | 5.1214 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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