| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Targets |
BIBS-39 targets the angiotensin II (AII) receptors, specifically the AT1 and AT2 subtypes. It is a non-peptide antagonist that displaces [125I]AII from its specific binding sites. The compound has a Ki value of 29 ± 7 nM for the AT1 receptor and 480 ± 110 nM for the AT2 receptor, indicating a significant selectivity (approximately 16-fold) for the AT1 subtype. AT1 receptor blockade is the primary mechanism of action for ARBs in the treatment of hypertension and cardiovascular diseases.
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| ln Vitro |
In vitro, BIBS-39 is a non-peptide angiotensin II receptor antagonist that binds to AT1 and AT2 receptors. Its affinity for the AT1 receptor (Ki = 29 nM) is significantly higher than for the AT2 receptor (Ki = 480 nM). In receptor binding assays, BIBS-39 effectively displaces radiolabeled angiotensin II from its binding sites. The compound's selectivity for AT1 over AT2 makes it a useful tool for studying the specific roles of the AT1 receptor in angiotensin II-mediated signaling.
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| ln Vivo |
In vivo, BIBS-39 is expected to exhibit effects typical of AT1 receptor antagonists, such as vasodilation, reduction of blood pressure, and inhibition of aldosterone secretion. By blocking the AT1 receptor, it prevents the vasoconstrictor and aldosterone-releasing effects of angiotensin II. This can lead to a decrease in blood pressure and a reduction in cardiac workload. However, specific in vivo data for BIBS-39 are limited in the available literature.
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| Enzyme Assay |
Non-cellular in vitro assays for BIBS-39 involve receptor binding studies. A standard protocol uses membrane preparations from cells expressing recombinant human AT1 or AT2 receptors. The membranes are incubated with a radiolabeled ligand, such as [125I]Sar1-Ile8-angiotensin II, and varying concentrations of BIBS-39. Non-specific binding is determined in the presence of an excess of unlabeled angiotensin II. After incubation, the reaction is terminated by rapid filtration, and the radioactivity bound to the membranes is measured. The Ki values are calculated from the competition curves.
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| Cell Assay |
Cellular assays for BIBS-39 are performed using cell lines expressing AT1 receptors, such as vascular smooth muscle cells or CHO cells. Cells are pre-incubated with BIBS-39 at various concentrations and then stimulated with angiotensin II. The inhibition of angiotensin II-induced signaling is measured. This can include the inhibition of intracellular calcium mobilization, measured using a calcium-sensitive fluorescent dye, or the inhibition of downstream signaling pathways such as ERK phosphorylation, assessed by Western blotting.
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| Animal Protocol |
In vivo animal studies for BIBS-39 are conducted in rodent models of hypertension. Spontaneously hypertensive rats (SHR) or angiotensin II-infused hypertensive rats are administered BIBS-39 orally or intraperitoneally at doses such as 1-10 mg/kg. Blood pressure is measured using tail-cuff plethysmography or telemetry at various time points post-administration. The reduction in systolic and diastolic blood pressure is determined. The duration of action is also assessed.
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| ADME/Pharmacokinetics |
BIBS-39 has a molecular weight of 524.65 and a molecular formula of C32H36N4O3. It is a non-peptide compound, which suggests it may have oral bioavailability. For in vivo studies, it can be formulated in vehicles such as 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline. Detailed pharmacokinetic parameters, such as half-life, Cmax, and AUC, have not been fully reported in the available literature.
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| Toxicity/Toxicokinetics |
Detailed toxicological data for BIBS-39 have not been extensively reported. As a research chemical, it is not intended for human use and is strictly for preclinical research purposes. Standard safety precautions should be followed when handling BIBS-39, including the use of personal protective equipment. The compound is typically stored as a powder at -20°C. No specific toxicity data, such as LD50 values, are available in the provided literature.
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| References |
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| Additional Infomation |
BIBS-39 is a novel, non-peptide angiotensin II receptor antagonist. It is a selective AT1 receptor antagonist with a Ki of 29 nM for AT1 and 480 nM for AT2. The compound is used as a research tool to study the renin-angiotensin-aldosterone system (RAAS) and the physiological roles of AT1 and AT2 receptors. BIBS-39 is not a clinically approved drug and has not entered clinical trials. Its primary application is in academic and pharmaceutical research to validate AT1 receptor blockade as a therapeutic strategy.
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| Molecular Formula |
C32H36N4O3
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|---|---|
| Molecular Weight |
524.665
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| Exact Mass |
524.279
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| CAS # |
133085-33-3
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| PubChem CID |
131590
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| Appearance |
White to off-white solid powder
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| Density |
1.24g/cm3
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| Boiling Point |
729.1ºC at 760 mmHg
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| Flash Point |
394.8ºC
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| Vapour Pressure |
2.57E-22mmHg at 25°C
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| Index of Refraction |
1.647
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| LogP |
7.524
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
39
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| Complexity |
794
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
OLQFKFSAJNUOPT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C32H36N4O3/c1-2-3-13-30-35-28-19-18-25(34-32(39)33-24-9-5-4-6-10-24)20-29(28)36(30)21-22-14-16-23(17-15-22)26-11-7-8-12-27(26)31(37)38/h7-8,11-12,14-20,24H,2-6,9-10,13,21H2,1H3,(H,37,38)(H2,33,34,39)
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| Chemical Name |
2-[4-[[2-butyl-6-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid
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| Synonyms |
BIBS39 BIBS 39BIBS-39
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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 : ≥ 32 mg/mL (~60.99 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 1.25 mg/mL (2.38 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 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: 1.25 mg/mL (2.38 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 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: ≥ 1.25 mg/mL (2.38 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 | 1.9060 mL | 9.5298 mL | 19.0596 mL | |
| 5 mM | 0.3812 mL | 1.9060 mL | 3.8119 mL | |
| 10 mM | 0.1906 mL | 0.9530 mL | 1.9060 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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