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| Other Sizes |
| Targets |
5-Chloro-2-(methylamino)benzophenone does not have a defined pharmacological target as it is a synthetic intermediate and drug metabolite. The compound is a metabolite of diazepam, an active metabolite of diazepam that is clinically used in the treatment of anxiety and insomnia. As a synthetic intermediate, it is used in the manufacture of diazepam. It is also used as a UV filter in sunscreens and other cosmetic products.
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| ln Vitro |
2-Methylamino-5-chlorobenzophenone is a benzophenone analytical standard. 1,2,3 2-Methylamino-5-chlorobenzophenone is both a synthetic intermediate in the manufacture of diazepam and a metabolite of the drug. It was discovered in confiscated etizolam samples. Applications for this device include forensics and research.
No specific in vitro pharmacological activity data are available for 5-Chloro-2-(methylamino)benzophenone as it is a synthetic intermediate and drug metabolite. In research settings, the compound is used as an analytical standard and as a reference compound for diazepam-related studies. Its activity is assessed in terms of analytical utility and synthetic utility rather than direct pharmacological activity. The compound is used in the simultaneous determination of hydrazine and benzylhydrazine in isocarboxazid formulations. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 5-Chloro-2-(methylamino)benzophenone as a therapeutic agent. The compound is a metabolite of diazepam and is not administered directly as a drug. Its pharmacological effects are related to its role as a diazepam metabolite. The compound is handled in analytical and pharmaceutical research laboratories.
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| Enzyme Assay |
For non-cellular assays, 5-Chloro-2-(methylamino)benzophenone is characterized by standard analytical techniques including HPLC, GC, NMR, and mass spectrometry to confirm identity and purity. The compound can be used as an analytical standard for the determination of diazepam and its metabolites. Typical protocols involve dissolving the compound in appropriate solvents and analyzing by chromatographic methods. Purity is typically ≥98% to ≥99%. Molecular weight: 245.70.
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| Cell Assay |
For in vitro cell-based studies, 5-Chloro-2-(methylamino)benzophenone is not typically used as a direct test compound. The compound is used as a reference standard and analytical reagent in pharmaceutical research. If handled in a biological laboratory context, standard safety precautions should be taken. The compound should be stored in a cool, dry place protected from light and moisture.
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| Animal Protocol |
For in vivo animal studies, 5-Chloro-2-(methylamino)benzophenone is not typically administered as a test compound. The compound is a metabolite of diazepam and is used as a reference standard in analytical studies. If used in animal studies for specific research purposes, it would be administered via appropriate routes with suitable formulations. Standard animal welfare guidelines should be followed.
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| ADME/Pharmacokinetics |
5-Chloro-2-(methylamino)benzophenone has a molecular weight of 245.70 and molecular formula C14H12ClNO. Purity: typically ≥98% to ≥99%. Storage: keep in a cool, dry place protected from light and moisture. The compound is a solid at room temperature. Solubility: soluble in common organic solvents. The compound is stable under recommended storage conditions.
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| Toxicity/Toxicokinetics |
5-Chloro-2-(methylamino)benzophenone is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have not been extensively reported.
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| References |
[1]. Jain, R.Simplified method for simultaneous determination of diazepam and its metabolites in urine by thin-layer chromatography and direct densitometryJ . Chromatogr .615(2)365-368(1993).
[2]. OlguÍn, HJ, GuzmÁn, DC, GarcÍa, EH, et al.Diazepam: Principal indications related with its molecular actions and advantagesDiazepam59-80(2014). [3]. Downey, C. , O'Donnell, A., McLaughlin, G., et al.An unusual detection of 2-amino-3-(2-chlorobenzoyl)-5-ethylthiophene and 2-methylamino-5-chlorobenzophenone in illicit yellow etizolam tablets marked " 5617" seized in the Republic of Ireland Drug Test. Anal. (2021). |
| Additional Infomation |
Metabolites of diazepam
5-Chloro-2-(methylamino)benzophenone (CAS 1022-13-5) is also known as 2-methylamino-5-chlorobenzophenone, diazepam impurity D, and temazepam related compound A. It is a synthetic intermediate in the manufacture of diazepam and a metabolite of the drug. It is used as a UV filter in sunscreens and cosmetic products and as an analytical standard. No clinical trials or therapeutic approvals exist for the compound itself. |
| Molecular Formula |
C14H12CLNO
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|---|---|
| Molecular Weight |
245.71
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| Exact Mass |
245.06
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| CAS # |
1022-13-5
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| PubChem CID |
13925
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
421.9±35.0 °C at 760 mmHg
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| Melting Point |
93-95 °C(lit.)
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| Flash Point |
209.0±25.9 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.627
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| LogP |
4.66
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
17
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| Complexity |
263
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C([H])=C([H])C(=C(C=1[H])C(C1C([H])=C([H])C([H])=C([H])C=1[H])=O)N([H])C([H])([H])[H]
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| InChi Key |
WPNMLCMTDCANOZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
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| Chemical Name |
[5-chloro-2-(methylamino)phenyl]-phenylmethanone
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
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
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| 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 | 4.0698 mL | 20.3492 mL | 40.6984 mL | |
| 5 mM | 0.8140 mL | 4.0698 mL | 8.1397 mL | |
| 10 mM | 0.4070 mL | 2.0349 mL | 4.0698 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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