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| Targets |
Clobenpropit dihydrobromide targets the histamine H3 receptor (H3R) and the histamine H4 receptor (H4R). It is a potent H3R antagonist/inverse agonist with a pEC50 of 8.07 for histamine H3LR. The compound is a selective and competitive histamine H3 antagonist. Additionally, it acts as a partial agonist at the histamine H4 receptor with a Ki of 13 nM. By modulating H3 and H4 receptor activity, Clobenpropit dihydrobromide affects histaminergic neurotransmission and immune cell function.
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| ln Vitro |
Clobenpropit exhibits a pK of 9.44±0.04 for human H3LR and 9.75±0.01 for rat H3LR binding. The affinity of clobenpropit for histamine H1R or H2R is minimal (pK 5.2 and 5.6, respectively) [1]. Clobenpropit has a concentration-dependent effect on [3H]-dopamine transport in SH-SY5Y cells, with a maximal inhibition rate of 82.7±2.8%, IC50 of 490 nM (pIC50 6.31±0.11)[2]. The IC50 for NR1/NR2B receptors is 1 μM, and clobenpropit is a non-competitive, subunit-selective antagonist of recombinant NMDA receptors [2]. When Clobenpropit (50 μM) and Gemcitabine (5 μM) were administered together, Panc-1, MiaPCa-2, and AsPC-1 apoptosis increased dramatically in comparison to the control group [3].
Clobenpropit dihydrobromide exhibits potent in vitro activity as a histamine receptor modulator. It demonstrates high affinity for the H3 receptor (pEC50 of 8.07) and the H4 receptor (Ki of 13 nM). The compound's activity is assessed in receptor binding assays using radiolabeled histamine ligands and in functional assays measuring receptor-mediated signaling (e.g., cAMP accumulation, calcium flux). Its ability to cross the blood-brain barrier makes it useful for studying central histamine receptors. These in vitro activities confirm its utility as a pharmacological tool. |
| ln Vivo |
Significant tumor growth inhibition was demonstrated by combination therapy with gemcitabine (125 mg/kg intraperitoneally twice a week for 40 days) and chlorprofen (20 μM/kg intraperitoneally every other day for 40 days) [ 3].
In vivo activity of Clobenpropit dihydrobromide has been studied in animal models of neurological and immune disorders. As a histamine H3 receptor antagonist/inverse agonist, it can modulate histaminergic neurotransmission in the brain, affecting cognitive function, sleep-wake regulation, and food intake. Its partial agonist activity at the H4 receptor may also influence immune responses. The compound's ability to cross the blood-brain barrier is critical for its central effects. In vivo studies have explored its potential therapeutic applications in neurological and immune-related disorders. |
| Enzyme Assay |
In vitro receptor binding assays for Clobenpropit dihydrobromide involve measuring its affinity for histamine H3 and H4 receptors. These assays typically use membrane preparations from cells expressing recombinant H3 or H4 receptors and a radiolabeled histamine receptor ligand (e.g., [3H]-N-methylhistamine). The compound is incubated with the receptor and the radioligand, and the displacement is measured to calculate the Ki or IC50. Functional assays, such as cAMP accumulation or GTPγS binding, are used to determine agonist/antagonist activity.
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| Cell Assay |
Apoptosis analysis[3]
Cell Types: Pancreatic cancer cells (Panc-1, MiaPaCa-2 and AsPC-1) Tested Concentrations: 50 μM Incubation Duration: Experimental Results: Gemcitabine (5 μM) combination enhanced apoptosis. In vitro cellular assays for Clobenpropit dihydrobromide are conducted in cell lines expressing histamine H3 or H4 receptors. Cells are treated with the compound at various concentrations, and receptor-mediated signaling is measured. For H3 receptors, cAMP accumulation assays are commonly used; for H4 receptors, calcium flux or chemotaxis assays may be employed. Cell viability is assessed to ensure that observed effects are not due to cytotoxicity. These assays characterize the compound's activity as a histamine receptor ligand. |
| Animal Protocol |
Animal/Disease Models: 5weeks old male BALB/c nude mice, Panc-1 xenograft [3]
Doses: 20 μM/kg Route of Administration: intraperitoneal (ip) injection; once every other day for 40 days. Gemcitabine (intraperitoneal (ip) injection twice a week, 125 mg/kg, for 40 days) Experimental Results: Compared with other treatment groups (control group 501±92 mg, gemcitabine 294±46 mg, chlorprofenate 444±167), The combination treatment demonstrated significant tumor growth inhibition. mg, and combination 154 ± 54 mg). In vivo animal experiments with Clobenpropit dihydrobromide are conducted in rodent models of neurological and immune disorders. The compound is administered via intraperitoneal or intracerebroventricular injection. Behavioral assays (e.g., locomotor activity, cognitive tests) are used to assess central effects. In models of allergic inflammation or immune dysfunction, the compound's effects on histamine-mediated immune responses are evaluated. These studies elucidate the role of histamine H3 and H4 receptors in health and disease. |
| ADME/Pharmacokinetics |
Pharmacokinetic data for Clobenpropit dihydrobromide indicate that the compound can cross the blood-brain barrier. It has a molecular weight of 470.65 and is soluble in DMSO. Its half-life and bioavailability have been characterized in preclinical studies. The compound is typically stored at room temperature. Further PK studies would be needed to support any potential clinical development.
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| Toxicity/Toxicokinetics |
Clobenpropit dihydrobromide is considered to have low toxicity based on its use as a research compound. However, comprehensive toxicological evaluations have not been extensively published. The compound is intended for research use only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound. Further toxicity studies would be required to support any potential clinical development.
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| References |
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| Additional Infomation |
Clobenpropit dihydrobromide is a hydrobromide produced by reacting chlorophenylpropyl with two equivalents of hydrobromic acid. It is a potent histamine H3 receptor antagonist/inverse agonist (pA2 = 9.93). Furthermore, it exhibits partial agonist activity against H4 receptors and can induce eosinophil morphological changes with an EC50 of 3 nM. It is both an H4 receptor agonist and an H3 receptor antagonist. It contains chlorophenylpropyl(2+) ions.
Clobenpropit dihydrobromide is a potent and selective histamine H3 receptor antagonist/inverse agonist. It is also known as VUF-9153. The compound acts as a partial agonist at the histamine H4 receptor with a Ki of 13 nM. Clobenpropit dihydrobromide can cross the blood-brain barrier. It is widely used in neuropharmacological and immunological research. The compound is available in high purity for research applications. Its dual activity at H3 and H4 receptors makes it a valuable tool for studying histamine receptor pharmacology. |
| Molecular Formula |
C14H19BR2CLN4S
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|---|---|
| Molecular Weight |
470.6535
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| Exact Mass |
467.938
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| Elemental Analysis |
C, 35.73; H, 4.07; Br, 33.95; Cl, 7.53; N, 11.90; S, 6.81
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| CAS # |
145231-35-2
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| Related CAS # |
Clobenpropit;145231-45-4
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| PubChem CID |
11213569
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| Appearance |
White to off-white solid powder
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| Melting Point |
205 °C
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| LogP |
5.86
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
22
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| Complexity |
306
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| Defined Atom Stereocenter Count |
0
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| SMILES |
Br[H].Br[H].ClC1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])/N=C(/N([H])[H])\SC([H])([H])C([H])([H])C([H])([H])C1=C([H])N=C([H])N1[H]
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| InChi Key |
JIJQPEZAVLJZBO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H17ClN4S.2BrH/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13;;/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19);2*1H
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| Chemical Name |
3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;dihydrobromide
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| Synonyms |
Clobenpropit HBr; Clobenpropit dihydrobromide; VUF 9153; VUF-9153; VUF9153;
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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: 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 : ~125 mg/mL (~265.59 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.42 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 20.8 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: ≥ 2.08 mg/mL (4.42 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 20.8 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: ≥ 2.08 mg/mL (4.42 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 | 2.1247 mL | 10.6236 mL | 21.2472 mL | |
| 5 mM | 0.4249 mL | 2.1247 mL | 4.2494 mL | |
| 10 mM | 0.2125 mL | 1.0624 mL | 2.1247 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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