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| 5mg |
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| Other Sizes |
| Targets |
Target: RAD51 (eukaryotic gene encoding a recombinase involved in DNA homologous recombination repair). RAD51-IN-5 is a potent RAD51 inhibitor. By inhibiting RAD51, it disrupts DNA double-strand break repair via homologous recombination, sensitizing cells to DNA-damaging agents such as chemotherapy and radiation. The compound may also have applications in mitochondrial deficiency disorders.
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| ln Vitro |
In vitro, RAD51-IN-5 is a potent inhibitor of RAD51, as disclosed in patent WO2021164746A1. The compound shows activity in cellular assays relevant to mitochondrial defective diseases. Detailed IC50 values and specific assay results are not publicly available outside the patent literature. It is expected to reduce RAD51-mediated homologous recombination repair in cancer cells.
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| ln Vivo |
In vivo, RAD51-IN-5 has been studied in animal models relevant to mitochondrial deficiency disorders, as disclosed in patent WO2021164746A1. The compound shows potential for in vivo efficacy, though specific results have not been published in peer-reviewed literature. It may also enhance the effects of DNA-damaging therapies in cancer models.
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| Enzyme Assay |
For cell-free RAD51 activity assays: recombinant RAD51 protein (100-200 ng) is incubated with varying concentrations of RAD51-IN-5 (0-100 uM), single-stranded DNA (ssDNA), and ATP in reaction buffer (25 mM Tris-HCl pH 7.5, 2 mM ATP, 1 mM DTT, 2 mM MgCl2) at 37degC for 30 min. RAD51-DNA filament formation is measured by fluorescence anisotropy or filter-binding assay. Strand exchange activity is measured using fluorescently labeled oligonucleotides.
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| Cell Assay |
For cell-based assays: cells deficient in mitochondrial function or cancer cell lines are seeded in 96-well plates and treated with RAD51-IN-5 (0.1-50 uM, 48-72 h) in combination with DNA-damaging agents (e.g., cisplatin, PARP inhibitors). Cell viability is measured by MTT or CellTiter-Glo assay. RAD51 foci formation is assessed by immunofluorescence staining using anti-RAD51 antibody. Homologous recombination efficiency is measured using DR-GFP or EJ5-GFP reporter assays.
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| Animal Protocol |
For in vivo animal studies: xenograft mouse models (e.g., bearing BRCA-deficient tumors) are established. RAD51-IN-5 is formulated in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% saline. The compound is administered intraperitoneally at doses of 10-50 mg/kg daily for 2-3 weeks, alone or in combination with chemotherapy. Tumor volume is measured by calipers, and tumor tissues are harvested for RAD51 foci analysis and apoptosis markers (cleaved caspase-3, PARP).
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| ADME/Pharmacokinetics |
PK properties of RAD51-IN-5: For a small molecule inhibitor (MW 550.73, LogP 6.2), expected PK in rodents after IP administration: Tmax 1-2 h, plasma half-life 4-8 h. The compound is soluble in DMSO (100 mg/mL). In vivo formulation: 10% DMSO + 40% PEG300 + 5% Tween80 + 45% saline. Plasma protein binding is expected to be high (>90%).
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| Toxicity/Toxicokinetics |
No toxicity data have been reported for RAD51-IN-5. RAD51 inhibition in normal cells may affect DNA repair in proliferating tissues (bone marrow, gastrointestinal tract), potentially causing myelosuppression and gastrointestinal toxicity. The compound is for research use only and not for human consumption.
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| References | |
| Additional Infomation |
RAD51-IN-5 is a research compound not yet approved for clinical use. It is a valuable tool for studying homologous recombination repair, PARP inhibitor resistance, and synthetic lethality in BRCA-mutant cancers. It also has potential applications in mitochondrial deficiency disorders.
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| Molecular Formula |
C26H38N4O5S2
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|---|---|
| Molecular Weight |
550.73
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| Exact Mass |
550.228
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| CAS # |
2690367-19-0
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| PubChem CID |
163408792
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| Appearance |
White to off-white solid powder
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| LogP |
6.2
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
37
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| Complexity |
884
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(NC(=O)OC(C)C)=CC(S(=O)(=N)C(C)C)=C1C1SC([C@@H]2CC[C@@H](NC(=O)OC(C)C)CC2)=NC=1
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| InChi Key |
IFAJQXQNZPNAHT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H38N4O5S2/c1-15(2)34-25(31)29-19-9-7-18(8-10-19)24-28-14-22(36-24)21-12-11-20(30-26(32)35-16(3)4)13-23(21)37(27,33)17(5)6/h11-19,27H,7-10H2,1-6H3,(H,29,31)(H,30,32)
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| Chemical Name |
propan-2-yl N-[4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]-3-(propan-2-ylsulfonimidoyl)phenyl]carbamate
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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 (~181.58 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8158 mL | 9.0789 mL | 18.1577 mL | |
| 5 mM | 0.3632 mL | 1.8158 mL | 3.6315 mL | |
| 10 mM | 0.1816 mL | 0.9079 mL | 1.8158 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.
Products are for research use only; We do not sell to patients
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