A PAD4 inhibitor
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JBI-589

Item No. 42126

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
[(3R)-3-amino-1-piperidinyl][2-[1-[(4-fluorophenyl)methyl]-1H-indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]-methanone
CAS Number
2308504-22-3
Molecular Formula
C29H28FN5O
Formula Weight
481.6
Purity
≥98%
Formulation
A solid
Solubility(Learn about Variance in Solubility)
Acetonitrile: Slightly Soluble: 0.1-1 mg/mlDMSO: Slightly Soluble: 0.1-1 mg/ml
SMILES
CC(N1C(C=C(C=C1)C(N2C[C@@H](CCC2)N)=O)=N3)=C3C4=CC5=CC=CC=C5N4CC6=CC=C(C=C6)F
InChi Code
InChI=1S/C29H28FN5O/c1-19-28(32-27-16-22(12-14-34(19)27)29(36)33-13-4-6-24(31)18-33)26-15-21-5-2-3-7-25(21)35(26)17-20-8-10-23(30)11-9-20/h2-3,5,7-12,14-16,24H,4,6,13,17-18,31H2,1H3/t24-/m1/s1
InChi Key
DUVCPNSLXBKGOK-XMMPIXPASA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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Certificates of Analysis & Batch Specific Data

Provide batch numbers separated by commas to download or request available product inserts, QC sheets, certificates of analysis, data packs, and GC-MS data.

    1 mg

    $193

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    5 mg

    $722

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    10 mg

    $1,060

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    Cayman Chemical
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    Product Description

    JBI-589 is an inhibitor of peptidyl arginine deiminase 4 (PAD4; IC50 = 0.122 µM).1 It is selective for PAD4 over PAD1, PAD2, PAD3, and PAD6 at 30 µM. JBI-589 (10 µM) inhibits calcium-induced increases in histone 3 citrullination (H3Cit) and neutrophil extracellular trap (NET) formation in isolated human neutrophils. It decreases serum IL-6 and plasma H3Cit levels and ankle joint inflammation and erosion levels in a mouse model of GM-CSF- and collagen-induced arthritis when administered at a dose of 20 mg/kg twice per day. JBI-589 reduces tumor size and tumor-associated neutrophil levels and increases tumor Cd8+ T cell and Cd4+ T cell levels but also decreases splenic macrophage, Cd4+ T cell, and regulatory T cell (Treg) levels in an LL/2 murine lung cancer model.2

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Gajendran, C., Fukui, S., Sadhu, N.M., et al. Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4. Sci. Rep. 13(1), 3189 (2023).

    2. Deng, H., Lin, C., Garcia-Gerique, L., et al. A novel selective inhibitor JBI-589 targets PAD4-mediated neutrophil migration to suppress tumor progression. Cancer Res. 82(19), 3561-3572 (2022).