| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
BMS-P5 targets protein arginine deiminase 4 (PAD4), a calcium-dependent enzyme that catalyzes the citrullination of arginine residues on proteins. PAD4 plays a critical role in neutrophil extracellular trap (NET) formation and has been implicated in autoimmune diseases, inflammation, and cancer. By inhibiting PAD4 with high selectivity over PAD1, PAD2, and PAD3, BMS-P5 provides a valuable tool for studying PAD4-specific biology.
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| ln Vitro |
Histone H3 citrullination produced by calcium ionophore is inhibited by BMS-P5 [1]. Additionally, MM production of NETs caused by primary MM cells can be inhibited by BMS-P5 [1].
In vitro, BMS-P5 inhibits PAD4 with an IC50 of 0.098 µM and shows selectivity for PAD4 over PAD1, PAD2, and PAD3 (IC50s >10 µM for all). BMS-P5 (1 µM) inhibits citrullination of histone H3 and neutrophil extracellular trap (NET) formation induced by RPMI-8226- or MM.1S-conditioned medium in isolated human neutrophils. The compound's potent and selective PAD4 inhibition makes it valuable for studying NETosis and related inflammatory processes. |
| ln Vivo |
The incidence rate of tumor-bearing tumors is markedly elevated by BMS-P5 (50 mg/kg, gavage) [1]. Tumor-promoting proteins in the tumor microenvironment may be destroyed by BMS-P5 (50 mg/kg, gavage), which would delay the growth of the tumor in
In vivo, BMS-P5 delays disease onset and increases survival in a DP42 syngeneic mouse model of multiple myeloma when administered at a dose of 50 mg/kg. It blocks multiple myeloma-induced NET formation and delays progression of multiple myeloma in a syngeneic mouse model. These findings support the compound's potential for studying PAD4-mediated pathology in cancer and inflammatory diseases. |
| Enzyme Assay |
For in vitro enzyme assays, recombinant PAD4 protein is incubated with a substrate (such as benzoyl-L-arginine ethyl ester or histone H3) and calcium ions in assay buffer. The test compound is added at various concentrations (0.001-100 µM). Enzyme activity is measured by detecting the conversion of arginine to citrulline using colorimetric, fluorometric, or mass spectrometry-based methods. IC50 values are calculated by fitting dose-response curves.
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| Cell Assay |
Cell viability assay [1].
Cell Types: neutrophils. Tested Concentrations: 10 µM and 100 µM. Incubation Duration: 30 minutes, then add DP42 or 5TGM1 CM. Experimental Results: Prevention of MM-induced NET formation. For cell-based assays, neutrophils or other relevant cell types are treated with BMS-P5 at concentrations ranging from 0.1-10 µM. PAD4 activity is assessed by measuring histone H3 citrullination by Western blotting using citrulline-specific antibodies. NET formation is assessed by immunofluorescence staining of neutrophil extracellular traps or by measuring extracellular DNA release. Cell viability and inflammatory cytokine production can also be assessed. |
| Animal Protocol |
Animal/Disease Models: MM syngeneic mouse model [1].
Doses: 50 mg/kg. Route of Administration: Starting from the 3rd day after injection of tumor cells, po (oral gavage) was given twice a day. Experimental Results: Dramatically delayed symptom development and Dramatically prolonged survival of MM-bearing mice. For in vivo efficacy studies, the DP42 syngeneic mouse model of multiple myeloma is used. Mice are treated with BMS-P5 at a dose of 50 mg/kg via appropriate routes. Disease onset, survival, and tumor progression are monitored. Plasma and tissues are collected for analysis of NET formation, PAD4 activity, and inflammatory markers. |
| ADME/Pharmacokinetics |
BMS-P5 is soluble in DMF (20 mg/ml), DMSO (5 mg/ml), and ethanol (30 mg/ml). Storage is recommended at -20°C for long-term stability. The compound is for research use only and is not intended for human or veterinary use. Standard laboratory safety precautions should be followed when handling this compound.
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| Toxicity/Toxicokinetics |
As a research compound, BMS-P5 is intended for laboratory use only and is not for human or veterinary use. In preclinical studies, the compound is well-tolerated at efficacious doses. Comprehensive toxicology studies would be required before any clinical development.
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| References | |
| Additional Infomation |
BMS-P5 is a potent and selective PAD4 inhibitor with an IC50 of 0.098 µM and selectivity over PAD1, PAD2, and PAD3 (IC50s >10 µM). It inhibits NET formation and delays disease progression in a multiple myeloma mouse model. BMS-P5 is a research tool and is not approved for clinical use.
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| Molecular Formula |
C27H32N6O2
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|---|---|
| Molecular Weight |
472.581985473633
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| Exact Mass |
472.26
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| Elemental Analysis |
C, 68.62; H, 6.83; N, 17.78; O, 6.77
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| CAS # |
1550371-22-6
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| Related CAS # |
BMS-P5;1549811-36-0
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| PubChem CID |
118158953
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| Appearance |
White to off-white solid powder
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| LogP |
2.6
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
35
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| Complexity |
779
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C[C@H]1CC[C@H](CN1C(=O)C2=CC3=C(C(=C2)OC)N(C(=N3)C4=CC5=C(N4CC6CC6)N=CC=C5)C)N
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| InChi Key |
PXJXCBYHGJEEJH-OXJNMPFZSA-N
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| InChi Code |
InChI=1S/C27H32N6O2/c1-16-6-9-20(28)15-32(16)27(34)19-11-21-24(23(13-19)35-3)31(2)26(30-21)22-12-18-5-4-10-29-25(18)33(22)14-17-7-8-17/h4-5,10-13,16-17,20H,6-9,14-15,28H2,1-3H3/t16-,20+/m0/s1
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| Chemical Name |
[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
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| Synonyms |
BMS-P5 free base; BMS-P5; BMSP5; BMS P5;
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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 : ~250 mg/mL (~529.01 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.40 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 (4.40 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 (4.40 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 | 2.1160 mL | 10.5802 mL | 21.1604 mL | |
| 5 mM | 0.4232 mL | 2.1160 mL | 4.2321 mL | |
| 10 mM | 0.2116 mL | 1.0580 mL | 2.1160 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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