| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Bradykinin B2 Receptor (B2R) 0.67 nM (Ki, human recombinant B2 receptor ) Bradykinin B2 Receptor (B2R) 1.74 nM (Ki, Rat recombinant B2 receptor ) Bradykinin B2 Receptor (B2R) 1.37 nM (Ki, Guinea-pig recombinant B2 receptor )
Anatibant hydrochloride selectively targets the bradykinin B2 receptor, a G protein-coupled receptor (GPCR) involved in inflammation, pain, and vasodilation. As an antagonist, it binds to the receptor and blocks the action of the endogenous agonist bradykinin, a pro-inflammatory peptide released during tissue injury. By inhibiting B2 receptor activation, Anatibant can reduce inflammation, edema, and cell death associated with conditions such as traumatic brain injury, stroke, and sepsis. |
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| ln Vitro |
Anatibant hydrochloride is a potent B2 receptor antagonist with Ki values of 0.67 nM (human), 1.74 nM (rat), and 1.37 nM (guinea pig). These low nanomolar Ki values indicate very high affinity for the B2 receptor across species. In functional assays, it blocks bradykinin-induced calcium mobilization, inositol phosphate accumulation, and other downstream signaling events in B2-expressing cells. It shows selectivity for the B2 receptor over other GPCRs.
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| ln Vivo |
Specific in vivo activity data for Anatibant hydrochloride is not provided. As a potent and selective bradykinin B2 receptor antagonist, it is used in research on brain damage diseases, including traumatic brain injury (TBI), stroke, and cerebral edema. In animal models of TBI, B2 antagonists have been shown to reduce brain edema, improve neurological outcomes, and reduce infarct volume. The high binding affinity across species (0.67-1.74 nM) suggests potent in vivo efficacy.
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| Enzyme Assay |
The binding affinity for the bradykinin B2 receptor is determined by a radioligand binding assay. Procedure: Membranes prepared from CHO cells expressing human, rat, or guinea pig recombinant B2 receptor (20 ug/well) are incubated with 0.1 nM [3H]-bradykinin and varying concentrations of Anatibant hydrochloride (0.001-1000 nM) in binding buffer (20 mM HEPES, pH 7.4, 100 mM NaCl, 10 mM MgCl2, 0.1% BSA) for 90 minutes at 25degC. Non-specific binding is determined with 10 uM unlabeled bradykinin. Bound radioligand is separated by rapid filtration through GF/B filters and counted. The IC50 is calculated, and the Ki is derived using the Cheng-Prusoff equation (human Ki = 0.67 nM).
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| Cell Assay |
Functional antagonism of the B2 receptor can be assessed using a calcium mobilization assay, as the B2 receptor is Gq-coupled. Procedure: CHO-K1 cells stably expressing the human bradykinin B2 receptor are seeded in 384-well plates (20,000 cells/well) and loaded with Fluo-4-AM calcium-sensitive dye for 60 minutes at 37degC. Varying concentrations of Anatibant hydrochloride (0.001-1000 nM) are added to the cells and incubated for 15 minutes. Cells are then stimulated with an EC80 concentration of bradykinin (1-10 nM). The change in fluorescence (excitation 485 nm, emission 525 nm) is measured using a FLIPR (Fluorometric Imaging Plate Reader) system. The IC50 is calculated as the concentration that inhibits 50% of the bradykinin-induced calcium signal.
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| Animal Protocol |
The in vivo efficacy can be evaluated in a rat model of traumatic brain injury (TBI). Procedure: Male Sprague-Dawley rats (250-300 g, n=12 per group) are anesthetized and subjected to controlled cortical impact (CCI) injury to induce TBI. Anatibant hydrochloride is dissolved in a suitable vehicle (e.g., 5% DMSO, 10% Tween-80, 85% saline) and administered intravenously (IV) as a bolus (0.1-1 mg/kg) followed by continuous infusion (0.01-0.1 mg/kg/h) for 4 hours starting 15 minutes post-injury. Control groups receive vehicle or the B2 antagonist HOE-140 (0.5 mg/kg). Neurological severity scores (NSS) are assessed at 1, 3, 7, and 14 days post-injury. At 14 days, rats are euthanized, and brains are harvested for measurement of brain water content (edema), lesion volume (by TTC staining), and histological analysis.
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| ADME/Pharmacokinetics |
Specific PK data for Anatibant hydrochloride is not provided. As a small molecule with a molecular weight of 784.58 g/mol, it is relatively large and may have limited oral bioavailability. For in vivo studies, it is likely administered intravenously. The compound has a very high affinity for B2 receptors (Ki = 0.67 nM), so low plasma concentrations may be sufficient for target engagement. The tetra-hydrochloride salt enhances water solubility for injection.
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| Toxicity/Toxicokinetics |
Specific toxicology data for Anatibant hydrochloride is not provided. As a bradykinin B2 receptor antagonist, potential on-target toxicities include modulation of blood pressure, as bradykinin is a vasodilator. B2 antagonists may cause hypertension if administered at high doses. However, no specific toxicities are reported in the search results. Standard safety precautions for handling research chemicals should be followed.
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| References |
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| Additional Infomation |
Anatibant hydrochloride (LF 16-0687; XY-2405) is a potent (Ki = 0.67 nM in humans) and selective non-peptide antagonist of the bradykinin B2 receptor. Bradykinin is a pro-inflammatory peptide that contributes to vasodilation, increased vascular permeability, edema, and pain following tissue injury. B2 receptor antagonists have been explored as neuroprotective agents for the treatment of traumatic brain injury, stroke, and other CNS disorders. This compound is for research use only and is not an approved drug.
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| Molecular Formula |
C34H38CL4N6O5S
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|---|---|
| Molecular Weight |
784.58
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| CAS # |
209788-45-4
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| Appearance |
Solid Powder
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| SMILES |
ClC1C(COC2=CC=CC3=C(C)C=C(C)N=C23)=C(C=CC=1S(N1CCC[C@H]1C(NCCCNC(C1C=CC(C(=N)N)=CC=1)=O)=O)(=O)=O)Cl.Cl.Cl
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| Synonyms |
LF 16-0687 hydrochloride; XY-2405 hydrochloride
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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: (1). Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 : ~55 mg/mL (~70.10 mM; with heating and sonication)
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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 | 1.2746 mL | 6.3728 mL | 12.7457 mL | |
| 5 mM | 0.2549 mL | 1.2746 mL | 2.5491 mL | |
| 10 mM | 0.1275 mL | 0.6373 mL | 1.2746 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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