| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg | |||
| 500mg | |||
| Other Sizes |
| Targets |
RAD51 (Homologous Recombinase) (IC50: 18 μM for RAD51-mediated DNA strand exchange activity) [1]
|
|---|---|
| ln Vitro |
RAD51 is an essential part of the DNA repair pathway for homologous recombination and is overexpressed in cancers that are resistant to drugs, such as aggressive triple-negative breast cancer (TNBC)[1].
RAD51-IN-1 (10 μM) reduces the ratio of RAD51 positive cells/cH2AX positive cells in MDA-MB-231 cell exposure to 6 Gy irradiation[1]. RAD51-IN-1 (10 μM) significantly reduces the formation of RAD51 foci induced by DNA damage when exposed to 6 Gy of radiation[1]. Inhibition of RAD51 recombinant enzyme activity RAD51-IN-1 (10–50 μM) dose-dependently inhibited RAD51-mediated DNA strand exchange in vitro. At 18 μM (IC50), it reduced the strand exchange efficiency by 50% compared to the vehicle control. At 50 μM, the inhibition rate reached 82%, as detected by agarose gel electrophoresis and quantification of the recombinant DNA product [1] - Suppression of homologous recombination (HR) in mammalian cells In DR-GFP U2OS cells (a homologous recombination reporter cell line), RAD51-IN-1 (10–40 μM) significantly reduced HR efficiency. At 30 μM, the HR frequency was decreased by 67% compared to the control, as measured by flow cytometry detection of GFP-positive cells (indicating successful HR repair) [1] - Antiproliferative activity in cancer cells RAD51-IN-1 exhibited antiproliferative effects on multiple cancer cell lines. The IC50 values were 22 μM (MCF-7 breast cancer cells), 25 μM (A549 lung cancer cells), and 28 μM (HCT116 colorectal cancer cells) after 72-hour treatment (MTT assay). It had no significant effect on normal human foreskin fibroblasts (NHFF) at concentrations up to 50 μM (cell viability > 85% vs. control) [1] - Enhancement of cisplatin sensitivity in cancer cells Combined treatment of MCF-7 cells with RAD51-IN-1 (10 μM) and cisplatin (2 μM) reduced cell viability by 73%, compared to 32% with cisplatin alone. This indicated a synergistic effect in inhibiting cancer cell growth by blocking HR-mediated DNA damage repair [1] |
| Enzyme Assay |
RAD51-mediated DNA strand exchange assay
Recombinant RAD51 protein was incubated with circular single-stranded DNA (ssDNA) and linear double-stranded DNA (dsDNA) substrates in reaction buffer to form presynaptic filaments. RAD51-IN-1 was added at concentrations of 5, 10, 18, 30, 50 μM before substrate addition, and the mixture was incubated at 37°C for 60 minutes. The reaction was terminated, and the products were separated by agarose gel electrophoresis. The intensity of the recombinant dsDNA band (indicating strand exchange) was quantified by densitometry to calculate the inhibition rate and IC50 value [1] |
| Cell Assay |
Cancer cell antiproliferation assay
MCF-7, A549, HCT116 cancer cells, and NHFF normal cells were seeded in 96-well plates (5×10³ cells/well) and cultured overnight. RAD51-IN-1 was added at concentrations of 5, 10, 20, 30, 40, 50 μM, and the cells were incubated for 72 hours. MTT reagent was added to each well, and after 4 hours of incubation, the absorbance was measured at 570 nm to calculate cell viability and IC50 values [1] - Homologous recombination reporter assay DR-GFP U2OS cells were seeded in 6-well plates (2×10⁵ cells/well) and cultured for 24 hours. Cells were transfected with an I-SceI expression plasmid to induce double-strand breaks (DSBs), followed by treatment with RAD51-IN-1 (10, 20, 30, 40 μM) for 48 hours. Cells were harvested, and GFP-positive cells (resulting from HR-mediated DSB repair) were detected by flow cytometry to determine HR efficiency [1] - Cisplatin synergy assay MCF-7 cells were seeded in 96-well plates (5×10³ cells/well) and cultured overnight. Cells were treated with RAD51-IN-1 (10 μM) alone, cisplatin (2 μM) alone, or their combination. After 72 hours of incubation, cell viability was measured by MTT assay, and the combination index was calculated to assess synergistic effects [1] |
| References | |
| Additional Infomation |
Mechanism of Action
RAD51-IN-1 is a quinazolinone derivative that binds to RAD51 and interferes with its ability to form presynaptic filaments with single-stranded DNA. This inhibits RAD51-mediated homologous recombination, which is a key pathway for repairing DNA double-strand breaks. By blocking DNA damage repair, this compound can inhibit cancer cell proliferation and enhance the cytotoxicity of DNA-damaging drugs such as cisplatin[1]. - Therapeutic Potential It has potential applications in cancer treatment, especially as a sensitizer for chemotherapy or radiotherapy that induces DNA double-strand breaks. It may be effective against solid tumors such as breast cancer, lung cancer, and colorectal cancer by targeting the enhanced DNA repair capacity of cancer cells[1]. - Structural Features This compound contains a quinazolinone core structure, which is essential for binding to the active site of RAD51 and mediating inhibitory activity[1]. |
| Molecular Formula |
C22H16CLN3O
|
|---|---|
| Molecular Weight |
373.834943771362
|
| Exact Mass |
373.1
|
| Elemental Analysis |
C, 70.68; H, 4.31; Cl, 9.48; N, 11.24; O, 4.28
|
| CAS # |
2101739-18-6
|
| PubChem CID |
53245568
|
| Appearance |
Yellow to orange solid powder
|
| LogP |
4
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
27
|
| Complexity |
582
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CN=CC=C3)CC4=CC=C(C=C4)Cl
|
| InChi Key |
AQNDWTVLZSMOQU-FMIVXFBMSA-N
|
| InChi Code |
InChI=1S/C22H16ClN3O/c23-18-10-7-17(8-11-18)15-26-21(12-9-16-4-3-13-24-14-16)25-20-6-2-1-5-19(20)22(26)27/h1-14H,15H2/b12-9+
|
| Chemical Name |
3-[(4-chlorophenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
|
| Synonyms |
RAD51-IN 1; RAD51-IN1; RAD51-IN-1
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: ~62.5 mg/mL (~167.2 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.56 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% 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 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O 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 | 2.6750 mL | 13.3751 mL | 26.7501 mL | |
| 5 mM | 0.5350 mL | 2.6750 mL | 5.3500 mL | |
| 10 mM | 0.2675 mL | 1.3375 mL | 2.6750 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
Copyright 2020 InvivoChem LLC | All Rights Reserved
