| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C23H27NO3 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Necrocide 1, a necrosis by sodium overload (NECSO) inducer, is a selective transient receptor potential melastatin 4 (TRPM4) agonist with an EC50 of 306.3 nM for human TRPM4. It triggers TRPM4-dependent necrotic cell death by inducing sodium influx and produces hallmarks of immunogenic cell death, including calreticulin (CALR) exposure, ATP secretion, and high mobility group box 1 (HMGB1) release. It can be used to study breast and prostate cancer[1][2][3]. It is supplied as a white to off-white solid (C23H27NO3, MW 365.47) at 99.55% purity.
Physical & Chemical Properties
| CAS Number | 1247028-61-0 |
|---|---|
| Molecular Formula | C23H27NO3 |
| Molecular Weight | 365.47 g/mol |
| Purity | 99.55% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | O=C1NC2=C(C=CC(OC)=C2C)[C@]1(C3CCCCCC3)C4=CC=C(O)C=C4 |
| Signaling Pathway | Membrane Transporter/Ion Channel; Neuronal Signaling; Cell Cycle/DNA Damage; Immunology/Inflammation; NF-κB; Metabolic Enzyme/Protease |
| Solubility | In Vitro: DMSO: 100 mg/mL (273.62 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. |
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 | 100 mg/mL (273.62 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 | 2.5 mg/mL (6.84 mM); clear solution; requires sonication |
| How to prepare | Gives a clear solution at 2.5 mg/mL. For 1 mL of working solution: add 100 μL DMSO stock (25.0 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 | 2.5 mg/mL (6.84 mM); clear solution; requires sonication |
| How to prepare | Gives a clear solution at 2.5 mg/mL. For 1 mL of working solution: add 100 μL DMSO stock (25.0 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 | 2.5 mg/mL (6.84 mM); clear solution; requires sonication |
| How to prepare | Gives a clear solution at 2.5 mg/mL. Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
Necrocide 1 (compound (S)-38) (72 h) has antiproliferative activity, with IC50 values of 0.48 nM for MCF-7 and 2 nM for PC3[1]. Necrocide 1 (100 μM, 4-24 h) can induce eIF2α phosphorylation in MCF-7 and A2780 cells[1]. Necrocide 1 (0.1-1000 nM, 24 h) causes necrotic cell death in various human cancer cell lines (MCF7, MB468) in a species-specific way, with no effect on mouse cells because of TRPM4 differences[2]. In MCF7 cells, Necrocide 1 (50-100 nM, 1-6 h) triggers marked Na+ influx, K+ efflux, membrane depolarization and cell edema, and all of these are blocked by TRPM4 knockout or sodium depletion[2]. Compared with wild-type TRPM4, Necrocide 1 (200-1000 nM, 16 h) is more cytotoxic in Cos7 cells expressing gain-of-function TRPM4 mutants linked to cardiac arrhythmias[2]. Human TRPM4 (EC50 ≈ 306.3 nM), but not mouse TRPM4, is specifically activated by Necrocide 1 (1 μM, 0.5-1 h), as shown by patch-clamp and CETSA assays[2]. In MCF7 cells, Clotrimazole and dihydropyridines block Na+ influx and inhibit the necrosis induced by Necrocide 1 (100 nM, 3 h)[2]. Necrocide 1 (50 nM, 4 h) induces production of reactive oxygen species (ROS) in MCF-7 cells[3]. In MCF-7 and MDA-MB-468 cells, cell death induced by Necrocide 1 (25-100 nM, 12-48 h) is not inhibited by necroptosis inhibitors, ferroptosis inhibitors, a pyroptosis inhibitor, or a PARP inhibitor[3]. In MCF-7 cells, Necrocide 1 (0.05-1 μM, 48 h) induces exposure of calreticulin (CALR), secretion of ATP, and release of HMGB1, and CsA and NecroX-5 inhibit these effects[3].
Western Blot Analysis[1]
| Cell Line | MCF-7 and A2780 cells |
|---|---|
| Concentration | 100 μM |
| Incubation Time | 4, 24 h |
| Result | Induced the phosphorylation of eIF2α. |
In Vivo
Necrocide 1 (compound (S)-38) shows potent antitumor efficacy in the PC3 rat xenograft model (20 mg/kg, i.v., on days 0 and 7)[1]. In nude mice, PC-3 xenografts show significant and sustained tumor regression after Necrocide 1 (40 mg/kg, i.v., on day 0, and a second injection on day 28), and the effect lasts up to 20 days[3]. In PC-3 xenografts in athymic mice, Necrocide 1 (100 mg/kg, i.g., 3 times/week, 2 weeks) lowers tumor growth[3]. Necrocide 1 (30 mg/kg, i.v., 3 times/week, 2 weeks) suppresses the growth of MCF-7 xenografts in athymic mice[3].
| Animal Model | PC3 cells (1×107 in 200 μL PBS with 100 μL Matrigel) were subcutaneously implanted into the flanks of female nude rats (NIHRNU-M)[1] |
|---|---|
| Dosage | 20 mg/kg |
| Administration | i.v. on days 0 and 7 |
| Result | Achieved complete tumor regression in PC3 rat xenograft model at a dose of 20 mg/kg. Showed no tumor regrowth observed by day 26. Exhibited no effect on body weights of rats. Caused no signs of toxicity in rats. |
| Animal Model | PC-3 cells (1×107 in 200 μL PBS mixed with 100 μL Matrigel) were subcutaneously inoculated into female NMRI nude mice (4-5 weeks old)[3] |
|---|---|
| Dosage | 40 mg/kg |
| Administration | i.v. on day 0, with a second injection on day 28 |
| Result | Induced significant tumor regression in PC-3 xenografts in nude mice at a dose of 40 mg/kg (i.v., on day 0). Showed sustained tumor regression lasting up to 20 days before regrowth was observed. Exhibited sensitivity of relapsed tumors to the second injection on day 28, inducing sustained regression again. Caused no reduction in body weights of mice. Showed no gross pathological signs in mice. |
| Animal Model | PC-3 cells (1×107 in 200 μL PBS mixed with 100 μL Matrigel) were subcutaneously inoculated into female NMRI nude mice (4-5 weeks old)[3] |
|---|---|
| Dosage | 100 mg/kg |
| Administration | i.g., 3 times/week for 2 weeks |
| Result | Consistently reduced PC-3 xenograft tumor growth. Showed good tolerance in mice. Caused no body weight reduction in mice. Induced no gross pathological signs in mice. |
| Animal Model | MCF-7 cells (1×107 in 200 μL PBS mixed with 100 μL Matrigel) were subcutaneously implanted into the flanks of female NMRI nude mice (4-5 weeks old)[3] |
|---|---|
| Dosage | 30 mg/kg |
| Administration | i.v. 3 times/week for 2 weeks |
| Result | Successfully suppressed MCF-7 xenograft tumor growth. Showed good tolerance in mice. Caused no body weight reduction in mice. Induced no gross pathological signs in mice. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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Identification of 14-3-3 Proteins as Binding Partners of TRP Channels. J Chem Inf Model 2026 Mar 16. PMID: 41839059
bioRxiv. 2026 Mar 2.
