| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
7-Bromoheptanoic acid does not have a defined pharmacological target of its own, as it is a synthetic intermediate. As a brominated carboxylic acid, it serves as a building block for the synthesis of various biologically active compounds. The bromine atom at the terminal position provides a handle for nucleophilic substitution and cross-coupling reactions, enabling the introduction of diverse functional groups.
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|---|---|
| ln Vitro |
7-Bromoheptanoic acid is a component that is necessary. It has been utilized to create SAHA derivatives that block histone deacetylase (hdac) and azidonicotinamide phosphoribosyltransferase (Nampt) inhibitors with anticancer potential.
In vitro, 7-bromoheptanoic acid is primarily used as a chemical reagent and synthetic intermediate. As a brominated carboxylic acid, it is a common building block for the construction of drug-like molecules through various synthetic transformations. The bromine atom enables nucleophilic substitution reactions, while the carboxylic acid group can be converted to esters, amides, and other derivatives. |
| ln Vivo |
In vivo activity data for 7-bromoheptanoic acid itself are not available, as the compound is not intended for direct in vivo administration. Rather, it is a precursor used in the synthesis of drug candidates that are subsequently evaluated in animal models. The compound's in vivo relevance is indirect, through the biological activities of the final pharmaceutical compounds derived from its bromoheptanoic acid scaffold.
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| Enzyme Assay |
For in vitro chemical synthesis, 7-bromoheptanoic acid is used as a building block for the preparation of various compounds. The bromine atom can undergo nucleophilic substitution reactions with various nucleophiles (e.g., amines, thiols, alkoxides) to introduce diverse substituents. The carboxylic acid group can be esterified, amidated, or reduced to the corresponding alcohol. Standard protocols involve reacting the compound with appropriate reagents under controlled conditions.
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| Cell Assay |
For in vitro cell-based experiments, 7-bromoheptanoic acid is used as an intermediate in the synthesis of compounds that are tested in cell viability, proliferation, and cytotoxicity assays. The compound itself is not typically evaluated in cell-based assays. Standard cell culture protocols for test compounds synthesized from this intermediate involve dissolving the final product in DMSO and diluting to working concentrations in appropriate cell culture medium.
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| Animal Protocol |
In vivo animal studies using 7-bromoheptanoic acid are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For pharmaceutical candidates derived from this building block, efficacy studies would typically be performed in mouse models of the relevant disease. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with appropriate pharmacokinetic and pharmacodynamic endpoints.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 7-bromoheptanoic acid as a standalone compound are not characterized in the literature. The compound has a molecular weight of 209.08 g/mol, which is within the favorable range for oral bioavailability. The bromine atom may influence metabolic stability and lipophilicity. The carboxylic acid group may be subject to conjugation and renal excretion. Empirical pharmacokinetic data are not available for this intermediate compound.
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| Toxicity/Toxicokinetics |
7-Bromoheptanoic acid is a research chemical and should be handled with appropriate laboratory safety precautions. As a brominated carboxylic acid, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| References |
[1]. Colombano, G., Travelli, C., Galli, U., et al.A novel potent nicotinamide phosphoribosyltransferase inhibitor synthesized via click chemistryJ. Med. Chem.53(2)616-623(2010)
[2]. Suzuki, T., Nagano, Y., Kouketsu, A., et al. Novel inhibitors of human histone deacetylases: Design, synthesis, enzyme inhibition, and cancer cell growth inhibition of SAHA-based non-hydroxamates J. Med. Chem. 48(4) 1019-1032(2005) |
| Additional Infomation |
7-Bromoheptanoic acid (CAS 30515-28-7) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a building block for organic synthesis and as a biochemical reagent for biomedical research. No clinical trials or approved therapeutic indications exist for this compound.
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| Molecular Formula |
C7H13BRO2
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|---|---|
| Molecular Weight |
209.08
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| Exact Mass |
208.009
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| CAS # |
30515-28-7
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| PubChem CID |
121723
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| Appearance |
Colorless to off-white <31°C solid powder,>31°C liquid
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
280.7±13.0 °C at 760 mmHg
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| Melting Point |
136-138°C
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| Flash Point |
123.6±19.8 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.488
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| LogP |
2.23
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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 |
6
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| Heavy Atom Count |
10
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| Complexity |
93.6
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(CCCBr)CCC(=O)O
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| InChi Key |
JLPQXFFMVVPIRW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H13BrO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)
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| Chemical Name |
7-bromoheptanoic acid
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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 |
| 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: 100 mg/mL (478.29 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.96 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 (11.96 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 (11.96 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 | 4.7829 mL | 23.9143 mL | 47.8286 mL | |
| 5 mM | 0.9566 mL | 4.7829 mL | 9.5657 mL | |
| 10 mM | 0.4783 mL | 2.3914 mL | 4.7829 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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