| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
IC50: 8.8 µM (PYCR1)[1]
Pyrroline-5-carboxylate reductase 1 (PYCR1). PYCR1-IN-1 is an inhibitor of PYCR1, the enzyme that catalyzes the NAD(P)H-dependent reduction of Δ¹-pyrroline-5-carboxylate (P5C) to proline. By inhibiting PYCR1, the compound reduces proline biosynthesis, which can affect cellular processes including protein synthesis, collagen production, and redox balance. Cancer cells often rely on increased proline biosynthesis to support proliferation and survival, making PYCR1 a potential target for anticancer therapy. Inhibition of PYCR1 may also affect the cellular redox state by modulating the NADPH/NADP⁺ ratio. |
|---|---|
| ln Vitro |
PYCR1-IN-1 inhibits PYCR1 activity, reducing proline biosynthesis in vitro. The compound's inhibitory activity can be measured using enzyme assays with purified PYCR1 or in cell-based systems. By inhibiting PYCR1, the compound may reduce cancer cell proliferation and induce apoptosis in PYCR1-dependent cancer cells. The specific IC₅₀ value and selectivity profile would depend on the assay conditions and cell types tested. Further studies are needed to fully characterize its in vitro activity.
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| ln Vivo |
In vivo studies of PYCR1-IN-1 are limited. As a PYCR1 inhibitor, it may have potential applications in cancer therapy, particularly for cancers that rely on proline biosynthesis for growth and survival. The compound may be evaluated in mouse xenograft models of PYCR1-dependent cancers. Further studies are needed to characterize its in vivo pharmacokinetic and pharmacodynamic properties, as well as its efficacy and safety profile.
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| Enzyme Assay |
Non-cell-based assays for PYCR1-IN-1 include enzyme inhibition assays using purified PYCR1. The enzyme is incubated with the substrate Δ¹-pyrroline-5-carboxylate (P5C) and NADPH in the presence of various concentrations of the compound. The reaction is monitored by measuring the decrease in NADPH absorbance at 340 nm or by detecting proline production. The IC₅₀ value is calculated from the dose-response curve. Standard analytical methods including HPLC, NMR, and mass spectrometry are used for compound characterization.
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| Cell Assay |
Cell-based assays for PYCR1-IN-1 use cancer cell lines that express PYCR1. Cells are treated with the compound at various concentrations, and proline levels are measured using colorimetric or LC-MS methods. Cell viability is assessed using MTT or similar assays. Apoptosis is evaluated by flow cytometry using Annexin V/PI staining. The compound's effects on cell proliferation, migration, and invasion can be assessed using appropriate assays. The role of PYCR1 in the cells' response to the compound can be confirmed by siRNA knockdown or overexpression studies.
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| Animal Protocol |
In vivo studies of PYCR1-IN-1 are limited. Potential animal models include: mouse xenograft models of PYCR1-dependent cancers; and genetically engineered mouse models of cancer. Standard protocols for xenograft studies involve subcutaneous implantation of cancer cells in immunodeficient mice, followed by administration of the compound. Tumor volume is measured over time, and tissues are collected for biomarker analysis.
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| ADME/Pharmacokinetics |
PYCR1-IN-1 has a molecular formula of C₁₃H₁₀N₂O₃ and a molecular weight of approximately 242.23 g/mol. The compound is soluble in organic solvents such as DMSO. It should be stored as a powder at -20°C for up to 3 years or in solvent at -80°C for 1 year. It is intended for research use only and is not for human consumption. Specific solubility and formulation information may vary and should be determined experimentally.
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| Toxicity/Toxicokinetics |
Specific toxicity data for PYCR1-IN-1 are limited. As a metabolic inhibitor targeting proline biosynthesis, it may have effects on normal tissues that depend on proline for protein synthesis and collagen production. The compound is intended for research use only. Standard laboratory safety practices should be followed when handling this compound, including the use of personal protective equipment.
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| References | |
| Additional Infomation |
PYCR1-IN-1 is a research compound targeting pyrroline-5-carboxylate reductase 1 (PYCR1), the enzyme that catalyzes the final step in proline biosynthesis. PYCR1 is overexpressed in various cancers and plays a role in tumor metabolism, including proline synthesis for protein production, collagen synthesis, and redox balance. Inhibition of PYCR1 represents a potential therapeutic strategy for cancer. PYCR1-IN-1 is used as a research tool to study the role of PYCR1 in cancer metabolism and to evaluate the potential of PYCR1 inhibition as a therapeutic approach. It is for research use only.
|
| Molecular Formula |
C11H12NBR
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|---|---|
| Molecular Weight |
238.124
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| Exact Mass |
237.015
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| CAS # |
709-85-3
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| PubChem CID |
60670209
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| Appearance |
Colorless to light yellow liquid（Density：1.330±0.06 g/cm3）
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| LogP |
2.6
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
13
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| Complexity |
186
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN(CC#C)CC1=CC=C(C=C1)Br
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| InChi Key |
CZHICGIAKKAMAP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H12BrN/c1-3-8-13(2)9-10-4-6-11(12)7-5-10/h1,4-7H,8-9H2,2H3
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| Chemical Name |
N-[(4-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: 100 mg/mL (419.96 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.50 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.1996 mL | 20.9978 mL | 41.9956 mL | |
| 5 mM | 0.8399 mL | 4.1996 mL | 8.3991 mL | |
| 10 mM | 0.4200 mL | 2.0998 mL | 4.1996 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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