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| Other Sizes |
| Targets |
5-Amino-2-chlorobenzotrifluoride may target cellular components involved in cancer cell growth and DNA damage repair, as it has been reported to exhibit anticancer and radioprotective activities. The compound's mechanism of action may involve inhibition of cancer cell proliferation or protection against radiation-induced damage. However, detailed target information is not extensively documented. It is primarily used as a chemical intermediate in organic synthesis.
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| ln Vitro |
contaminants in sorafenib. A tiny drug called sorafenib inhibits several tyrosine protein kinases, including PDGFR, Raf family kinases, and VEGFR. It is used to treat advanced primary liver cancer, radioiodine-resistant advanced thyroid cancer, and primary kidney cancer.
In vitro, 5-Amino-2-chlorobenzotrifluoride has been reported to inhibit the growth of cancer cells. The compound's anticancer activity suggests it may interfere with cellular proliferation pathways. Its radioprotective activity indicates potential for protecting cells against radiation-induced damage. However, detailed in vitro activity data, including IC₅₀ values and specific mechanisms, are not extensively documented in the publicly available literature. Further studies are needed to characterize its biological activity. |
| ln Vivo |
Specific in vivo activity data for 5-Amino-2-chlorobenzotrifluoride are not extensively documented in the publicly available literature. The compound has been reported to exhibit anticancer and radioprotective activities, suggesting potential applications in oncology and radiation protection. However, detailed in vivo efficacy and safety data are not available. The compound is primarily used as a chemical intermediate in research applications.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for 5-Amino-2-chlorobenzotrifluoride are not typically conducted, as it is primarily used as a chemical intermediate. If evaluated, assays would likely focus on its anticancer activity, such as assessing its effects on cancer cell proliferation or its interactions with targets involved in DNA damage repair. Standard cell-based assays would be employed to evaluate its biological activity.
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| Cell Assay |
5-Amino-2-chlorobenzotrifluoride may be used in cell-based assays to evaluate its anticancer and radioprotective activities. Cancer cell lines could be treated with the compound to assess its effects on cell proliferation, apoptosis, or DNA damage response. Radioprotective activity could be evaluated by assessing cell survival following radiation exposure. Standard cell culture conditions (37°C, 5% CO₂) with appropriate media are employed.
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| Animal Protocol |
In vivo animal studies with 5-Amino-2-chlorobenzotrifluoride would be required to evaluate its anticancer and radioprotective activities. Potential study designs include xenograft models for anticancer efficacy or radiation exposure models for radioprotective effects. Endpoints would include tumor growth measurements, survival analysis, and assessment of tissue damage. However, detailed published in vivo protocols are not currently available for this compound.
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| ADME/Pharmacokinetics |
5-Amino-2-chlorobenzotrifluoride has a molecular weight of 195.57 g/mol and a molecular formula of C₇H₅ClF₃N. It appears as a solid with a melting point of 34-38°C. The compound is used as a building block in organic synthesis and is typically stored under refrigerated conditions (0-10°C) in an inert atmosphere. It is intended for research use only.
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| Toxicity/Toxicokinetics |
5-Amino-2-chlorobenzotrifluoride is intended for research use only and is not approved for human therapeutic applications. As a research chemical, comprehensive toxicological data are not extensively documented in the publicly accessible literature. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. The compound should be handled in well-ventilated areas with proper waste disposal procedures.
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| Additional Infomation |
5-Amino-2-chlorobenzene trifluoride is a monochlorobenzene, a 3-trifluoromethyl derivative of 4-chloroaniline. It is an epitope compound. It is a chloroaniline, belonging to the monochlorobenzene class and also to the (trifluoromethyl)benzene class.
5-Amino-2-chlorobenzotrifluoride (5ACBF) (CAS#: 320-51-4) has a molecular formula of C₇H₅ClF₃N and a molecular weight of 195.57 g/mol. It is a monochlorobenzene derivative of 4-chloroaniline. The compound is used as a building block in organic synthesis and has been reported to exhibit anticancer and radioprotective activities. This compound is not a drug and has not undergone clinical trials. |
| Molecular Formula |
C7H5CLF3N
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|---|---|
| Molecular Weight |
195.57
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| Exact Mass |
195.006
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| CAS # |
320-51-4
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| PubChem CID |
67574
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
237.9±40.0 °C at 760 mmHg
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| Melting Point |
35-37 °C(lit.)
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| Flash Point |
97.7±27.3 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.500
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| LogP |
3.35
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
12
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| Complexity |
159
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C([H])=C([H])C(=C([H])C=1C(F)(F)F)N([H])[H]
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| InChi Key |
ASPDJZINBYYZRU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
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| Chemical Name |
4-chloro-3-(trifluoromethyl)aniline
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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 | 5.1133 mL | 25.5663 mL | 51.1326 mL | |
| 5 mM | 1.0227 mL | 5.1133 mL | 10.2265 mL | |
| 10 mM | 0.5113 mL | 2.5566 mL | 5.1133 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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