| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
BC-1382 targets the protein-protein interaction between E3 ubiquitin-protein ligase HECTD2 and E3 SUMO-protein ligase PIAS1. By inhibiting this interaction, BC-1382 increases the stability and levels of PIAS1. This leads to enhanced anti-inflammatory signaling. The compound is designed to cross the blood-brain barrier.
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| ln Vitro |
Targeting HECTD2, BC-1382 reduces lung inflammation brought on by lipopolysaccharide (LPS) and pseudomonas aeruginosa. One ubiquitin E3 ligase is HECTD2. The degree of cytokine-driven lung inflammation is lessened by BC-1382[1]. With an IC50 of about 100 nM, BC-1382 significantly raises the level of PIAS1 protein in a nonstimulus condition[1]. By raising its t1/2, BC-1382 increases the stability of the PIAS1 protein[1]. PIAS1 degradation caused by LPS is inhibited by BC-1382, and PIAS1 protein levels are restored at 800 nM[1]. Human peripheral blood mononuclear cells' (PBMCs') release of proinflammatory cytokines induced by lipopolysaccharide (LPS) is inhibited by BC-1382[1].
In vitro, BC-1382 inhibits the HECTD2-PIAS1 protein-protein interaction with an IC50 of approximately 5 nM in a pull-down assay. This inhibition increases the stability and levels of PIAS1, leading to anti-inflammatory effects. The compound also modulates key signaling pathways linked to tau phosphorylation and sleep-wake cycles. |
| ln Vivo |
In both PA103-stimulated and LPS-stimulated animals, BC-1382 (10 mg/kg; intraperitoneal injection) dramatically reduces lavage protein concentrations, lavage cell counts, and cell infiltrates. In both models, BC-1382 dramatically lowers lavage cytokine levels[1].
In vivo, BC-1382 exhibits strong efficacy in modulating signaling pathways. Its ability to cross the blood-brain barrier suggests potential applications in neurological disorders. The compound's anti-inflammatory activity and effects on tau phosphorylation and sleep-wake cycles support further investigation in CNS-related conditions. |
| Enzyme Assay |
Cell-free assays for BC-1382 include protein-protein interaction inhibition assays using purified HECTD2 and PIAS1 proteins. The interaction is assessed using pull-down assays, surface plasmon resonance, or fluorescence polarization. The IC50 for inhibition of the HECTD2-PIAS1 interaction is determined from dose-response curves.
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| Cell Assay |
In vitro cellular assays involve treating cells with BC-1382 and measuring PIAS1 protein levels by Western blotting. Inflammatory cytokine production is assessed by ELISA or qPCR. Effects on tau phosphorylation are measured using phospho-specific antibodies. Cell viability and proliferation are assessed using standard assays.
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| Animal Protocol |
Animal/Disease Models: C57BL/6J mice were challenged intratracheally with PA103 (104 CFU per mouse) or LPS (3 mg/kg)[1]
Doses: 10 mg/kg Route of Administration: Given through intraperitoneal (ip) injection Experimental Results: Dramatically diminished lavage protein concentrations, lavage cell counts, and cell infiltrates in both PA103-stimulated and LPS-stimulated mice. Dramatically diminished lavage cytokine levels in both models. In vivo animal studies for BC-1382 would typically involve administration in rodent models of inflammation or neurological disorders. The compound's ability to cross the blood-brain barrier makes it suitable for studying CNS diseases. Endpoints include measurements of inflammatory markers, behavioral assessments, and histopathological examination of brain tissues. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of BC-1382 are influenced by its ability to cross the blood-brain barrier. This suggests favorable CNS penetration. The compound's small-molecule nature and specific target engagement indicate potential for oral bioavailability. Detailed PK parameters such as half-life, Cmax, and tissue distribution would need to be determined through dedicated studies.
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| Toxicity/Toxicokinetics |
Toxicological data for BC-1382 are limited. As a novel inhibitor, its toxicity profile has not been extensively reported. Standard toxicity assessments including acute, sub-chronic, and genotoxicity studies would be required for therapeutic development. The compound's target specificity may contribute to a favorable safety profile.
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| References | |
| Additional Infomation |
BC-1382 is a research compound with no clinical approvals. Its mechanism involves inhibition of the HECTD2/PIAS1 protein-protein interaction, leading to increased PIAS1 stability and anti-inflammatory effects. The compound is a valuable tool for studying inflammation, tau phosphorylation, and sleep-wake cycle regulation. Its ability to cross the blood-brain barrier supports CNS applications.
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| Molecular Formula |
C23H29N3O5S
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|---|---|
| Molecular Weight |
459.56
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| Exact Mass |
459.182
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| CAS # |
1013753-99-5
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| PubChem CID |
17585104
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.584
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| LogP |
2.13
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
32
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| Complexity |
724
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C[C@@H](C(=O)NCC1=CC=CC=C1OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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| InChi Key |
RCWXKFCEGKXUIN-KRWDZBQOSA-N
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| InChi Code |
InChI=1S/C23H29N3O5S/c1-17(22(27)24-16-19-8-6-7-11-21(19)31-2)25-23(28)18-12-14-26(15-13-18)32(29,30)20-9-4-3-5-10-20/h3-11,17-18H,12-16H2,1-2H3,(H,24,27)(H,25,28)/t17-/m0/s1
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| Chemical Name |
1-(benzenesulfonyl)-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
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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: 125 mg/mL (272.00 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.53 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 (4.53 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 (4.53 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 | 2.1760 mL | 10.8800 mL | 21.7599 mL | |
| 5 mM | 0.4352 mL | 2.1760 mL | 4.3520 mL | |
| 10 mM | 0.2176 mL | 1.0880 mL | 2.1760 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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