| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C11H12BrN |
| Purity | |
| SMILES | |
| Form | Liquid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
PYCR1-IN-1 inhibits pyrroline-5-carboxylate reductase 1 (PYCR1) with an IC50 of 8.8 μM. Anticancer effects have been reported for the compound[1]. It is supplied as a colorless to light yellow liquid (C11H12BrN, MW 238.13) at 99.65% purity.
Physical & Chemical Properties
| CAS Number | 709-85-3 |
|---|---|
| Molecular Formula | C11H12BrN |
| Molecular Weight | 238.13 g/mol |
| Purity | 99.65% |
| Appearance | Liquid |
| Color | Colorless to light yellow |
| Density | 1.330±0.06 g/cm3 |
| SMILES | C#CCN(C)CC1=CC=C(Br)C=C1 |
| Signaling Pathway | Cell Cycle/DNA Damage |
| Solubility | In Vitro: DMSO: 100 mg/mL (419.94 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | 4°C, stored under nitrogen. In solvent: -80°C, 6 months; -20°C, 1 month (stored under nitrogen). |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target
IC50: 8.8 μM (PYCR1)[1]
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 (419.94 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); stored under nitrogen; 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 + 90% Corn Oil |
|---|---|
| Result | ≥ 5 mg/mL (21.00 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. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 2.5 mg/mL (10.50 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). 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). |
Data provided by the manufacturer.
In Vitro
PYCR1-IN-1 (0-100 μM, 24 h) lowers the proline level and inhibits proliferation of the human breast cancer cells SUM-159-PT and MDA-MB-231 without additional proline supplementation (inhibition rate=30-40%)[1]. PYCR1-IN-1 inhibits pyrroline-5-carboxylate reductase (IC50=8.7 μM when NADPH serves as the electron donor), interferes with the proline/pyrroline-5-carboxylate cycle, and thereby inhibits cancer cell growth[2].
Cell Proliferation Assay[1]
| Cell Line | SUM-159-PT and MDA-MB-231 |
|---|---|
| Concentration | 10 μM |
| Incubation Time | 1-5 days |
| Result | Inhibited the cell proliferation. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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PYCR1 drives lung cancer progression through functional interactions with EGFR and TLR signaling pathways. Exp Mol Med 2025 Nov;57(11):2559-2573. PMID: 41254241
Glutamine metabolism reprogramming promotes bladder cancer progression via PYCR1: a multi-omics and functional validation study. J Transl Med 2025 Nov 13;23(1):1277. PMID: 41233804
