A PAD4 inhibitor
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JBI-1044

Item No. 45845

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
[(3R)-3-amino-1-piperidinyl][2-[7-chloro-1-(cyclopropylmethyl)-1H-indol-2-yl]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-8-yl]-methanone
CAS Number
2304852-21-7
Molecular Formula
C27H28ClN5O2
Formula Weight
490.0
Purity
≥98%
Formulation (Request formulation change)
A solid
Solubility(Learn about Variance in Solubility)
DMSO: Soluble: ≥10 mg/mlEthanol: Soluble: ≥10 mg/ml
SMILES
O=C(N1C[C@@H](CCC1)N)C2=CC(OCCN3C(C4=CC5=CC=CC(Cl)=C5N4CC6CC6)=N7)=C3C7=C2
InChi Code
InChI=1S/C27H28ClN5O2/c28-20-5-1-3-17-12-22(33(24(17)20)14-16-6-7-16)26-30-21-11-18(13-23-25(21)32(26)9-10-35-23)27(34)31-8-2-4-19(29)15-31/h1,3,5,11-13,16,19H,2,4,6-10,14-15,29H2/t19-/m1/s1
InChi Key
VWMILHOMRPKNRL-LJQANCHMSA-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

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    1 mg

    $175

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    5 mg

    $700

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    10 mg

    $1,138

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    25 mg

    $1,750

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    Product Description

    JBI-1044 is an inhibitor of peptidyl arginine deiminase 4 (PAD4; IC50 = 102 nM).1

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Luo, H., Zuo, H., Zhu, J., et al. Computer-aided discovery of peptidyl arginine deiminase 4 inhibitors to suppress NETosis and accelerate diabetic wound healing. Chinese Chem. Lett. 37(6), 111510 (2026).