A potent and selective PARP1 inhibitor
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NMS-P118

Item No. 21340

Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
2-[1-(4,4-difluorocyclohexyl)-4-piperidinyl]-6-fluoro-2,3-dihydro-3-oxo-1H-isoindole-4-carboxamide
CAS Number
1262417-51-5
Molecular Formula
C20H24F3N3O2
Formula Weight
395.4
Purity
≥98%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 5 mg/mlDMSO: 2 mg/mlEthanol: slightly soluble
λmax
294 nm
SMILES
FC1(F)CCC(N2CCC(N(CC3=C4C(C(N)=O)=CC(F)=C3)C4=O)CC2)CC1
InChi Code
InChI=1S/C20H24F3N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)
InChi Key
ARYVAQSYRLZVQD-UHFFFAOYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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    1 mg

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    5 mg

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    10 mg

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    25 mg

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    Cayman Chemical
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    Product Description

    NMS-P118 is an orally bioavailable, potent, and selective inhibitor of poly(ADP-ribose) polymerase 1 (PARP1), which is an enzyme activated by DNA damage and is critical for the repair of DNA single-strand breaks via the base excision repair pathway.1,2 NMS-P118 is selective for PARP1 (Kd = 9 nM) over PARP2 (Kd = 1,390 nM). It is efficacious in MDA-MD-436 human breast and Capan-1 human pancreatic cancer mouse xenograft models.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Papeo, G., Posteri, H., Borghi, D., et al. Discovery of 2-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118): A potent, orally available, and highly selective PARP-1 inhibitor for cancer therapy. J. Med. Chem. 58(17), 6875-6898 (2015).

    2. Javle, M., and Curtin, N.J. The potential for poly (ADP-ribose) polymerase inhibitors in cancer therapy. Ther. Adv. Med. Oncol. 3(6), 257-267 (2011).