| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C23H24F6N6O4 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
PARP7-IN-15 is an orally active, selective PARP7 inhibitor with an IC50 of 0.56 nM. It inhibits PARP7 enzymatic activity and produces antitumor activity against lung cancer in vivo, supporting its use in lung cancer research[1]. It is supplied as a white to off-white solid (C23H24F6N6O4, MW 562.46) at 99.03% purity.
Physical & Chemical Properties
| CAS Number | 2819998-97-3 |
|---|---|
| Molecular Formula | C23H24F6N6O4 |
| Molecular Weight | 562.46 g/mol |
| Purity | 99.03% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | O=C1C(C(F)(F)F)=C(N2CC[C@H]2COCCC(N3C[C@@H](COC4=C5N=CC(C(F)(F)F)=C4)N5CC3)=O)C=NN1 |
| Target | PARP7 |
| Signaling Pathway | Cell Cycle/DNA Damage; Epigenetics; Metabolic Enzyme/Protease |
| Solubility | In Vitro: DMSO: 200 mg/mL (355.58 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target
|
PARP7 0.56 nM (IC50) |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 200 mg/mL (355.58 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 5 mg/mL (8.89 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (50.0 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 5 mg/mL (8.89 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (50.0 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Protocol 3
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 5 mg/mL (8.89 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (50.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
PARP7-IN-15 (4 days) potently inhibits proliferation of PARP7-sensitive NCI-H1373 human lung cancer cells (IC50 of 4.1 nM)[1]. Against PARP7-insensitive human breast cancer MDA-MB-436 cells, PARP7-IN-15 (0.1 μM; 7 days) shows only extremely low antiproliferative activity, with an IC50 >10 μM[1]. In RAW246.7 mouse macrophages, PARP7-IN-15 (24 h) significantly stimulates expression of IFN-β[1]. PARP7-IN-15 inhibits the human enzymes CYP2C9 (IC50 = 2.01 μM) and CYP2C19 (IC50 = 7.55 μM), but has no significant inhibitory effect on CYP1A2, CYP2D6 or CYP3A4 (IC50 >30 μM)[1].
Cell Proliferation Assay[1]
| Cell Line | PARP7-insensitive MDA-MB-436 human breast cancer cells |
|---|---|
| Concentration | 0.1 μM |
| Incubation Time | 7 days |
| Result | Showed no obvious inhibition of MDA-MB-436 cell proliferation at 0.1 μM. Had an IC50 value for proliferation inhibition of >10 μM, indicating very high selectivity for PARP7-sensitive cells. |
In Vivo
In the NCI-H1373 lung cancer xenograft mouse model, PARP7-IN-15 (30 mg/kg; p.o.; once daily; for 21 consecutive days) shows potent in vivo anti-tumor activity[1].
| Animal Model | CB17 SCID mice treated NCI-H1373 tumors (female, 6-8 weeks old)[1] |
|---|---|
| Dosage | 30 mg/kg |
| Administration | p.o.; daily; 21 days |
| Result | Achieved a tumor growth inhibition (TGI) rate of 75.2%. Caused no animal death or significant body weight loss during the treatment period. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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