| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
Purity: ≥98%
| Targets |
The primary target of NSC16168 is the ERCC1-XPF endonuclease complex, which is involved in nucleotide excision repair (NER) and interstrand crosslink repair. ERCC1-XPF is a structure-specific endonuclease that incises the damaged DNA strand 5' to the lesion. By inhibiting this complex, NSC16168 prevents the repair of DNA damage, particularly lesions induced by chemotherapeutic agents like cisplatin, thereby sensitizing cancer cells to these drugs.
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| ln Vitro |
NSC16168 (0-50 μM) amplifies cisplatin's fat-based anticancer properties [1]. Assay for cell viability [1].
NSC16168 is a specific inhibitor of ERCC1-XPF with an IC50 of 0.42 μM. In the concentration range of 0-50 μM, NSC16168 potentiates the antitumor efficacy of cisplatin against cancer cells. The compound inhibits DNA repair, which leads to the accumulation of DNA damage and enhanced cell death in combination with cisplatin. These effects are cell-based and demonstrate the compound's ability to sensitize cells to DNA-damaging agents. |
| ln Vivo |
In H460 lung cancer xenografts, NSC16168 (20 mg/kg, intraperitoneally, twice daily) significantly inhibits tumor growth and increases resistance to cisplatin [1].
In an H460 lung cancer xenograft model, NSC16168 administered intraperitoneally twice daily at a dose of 20 mg/kg demonstrated significant antitumor activity and synergistically enhanced the efficacy of cisplatin. This in vivo activity confirms the compound's ability to potentiate the effects of platinum-based chemotherapy in a solid tumor model. The combination of NSC16168 with cisplatin was more effective than either agent alone. |
| Enzyme Assay |
The ERCC1-XPF inhibition assay for NSC16168 is typically performed using a high-throughput screen (HTS) format. Recombinant ERCC1-XPF protein is incubated with a fluorescence-labeled DNA substrate that mimics a repair intermediate. The endonuclease activity of ERCC1-XPF cleaves the substrate, generating a fluorescent signal. NSC16168 is added at various concentrations, and the inhibition of cleavage activity is measured. The IC50 value is calculated from the dose-response curve. Specific protocol details are not provided in the available summaries.
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| Cell Assay |
Cell viability assay [1].
Cell Types: H460 cells. Tested Concentrations: 0-50 μM. Incubation Duration: 2 hrs (hours). Experimental Results: Enhanced efficacy of cisplatin against cancer cells. To evaluate the ability of NSC16168 to potentiate cisplatin cytotoxicity, cancer cells (e.g., H460 lung cancer cells) are plated in 96-well plates. Cells are treated with varying concentrations of NSC16168 (0-50 μM) alone or in combination with a fixed concentration of cisplatin. After 72 hours of incubation, cell viability is measured using an MTT or SRB assay. The combination index (CI) is calculated to determine whether the interaction is synergistic, additive, or antagonistic. The enhancement of cisplatin cytotoxicity by NSC16168 is expressed as the fold-increase in cisplatin sensitivity. |
| Animal Protocol |
Animal/Disease Models: Inject 2.5×106 H460 cells sc on the right side of each mouse [1].
Doses: 20 mg/kg. Doses: IP twice (two times) daily for 10 days. Experimental Results: The compound had minimal effects on tumor growth, and the mice demonstrated no signs of distress or toxic side effects. Combination treatment with 16168 and cisplatin inhibited H460 tumor growth, which was maintained during compound injection. The in vivo efficacy of NSC16168 is evaluated in an H460 lung cancer xenograft model. H460 human lung cancer cells are implanted subcutaneously into immunodeficient mice. When tumors reach a palpable size, mice are randomized into treatment groups: vehicle control, NSC16168 alone (20 mg/kg, i.p., b.i.d.), cisplatin alone, and the combination. Tumor volume and body weight are measured twice weekly. At the end of the study, tumors are excised and weighed. The antitumor activity is expressed as the tumor growth inhibition (TGI) percentage relative to the control group. |
| ADME/Pharmacokinetics |
Specific pharmacokinetic data for NSC16168 are not provided in the available sources. The compound is a small molecule with a molecular weight of 473.5 and is soluble in DMSO at 20 mg/mL (42.24 mM). It is a solid that should be kept away from moisture. Standard pharmacokinetic studies would typically involve administering the compound to rodents and measuring plasma concentrations over time using LC-MS/MS to determine key PK parameters.
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| Toxicity/Toxicokinetics |
Specific toxicity data for NSC16168 are not detailed in the available sources. In the H460 xenograft study, the compound was administered at 20 mg/kg b.i.d. without mention of overt toxicity. As a research compound, it is intended for laboratory use only and is not approved for human therapeutic applications. The compound is stored at -20°C for long-term stability, with powder stable for 3 years and in solvent for 1 year at -80°C.
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| References | |
| Additional Infomation |
NSC16168 is also known as NSC 16168. It is a selective ERCC1-XPF inhibitor with an IC50 of 0.42 μM. The compound inhibits DNA repair and potentiates the antitumor activity of cisplatin. Its chemical name is 4-amino-5-(4-methylphenyl)sulfonyloxy-naphthalene-2,7-disulfonic acid. The compound has a CAS number of 6837-93-0.
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| Molecular Formula |
C17H15NO9S3
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|---|---|
| Molecular Weight |
473.49700
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| Exact Mass |
472.991
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| CAS # |
6837-93-0
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| PubChem CID |
23270
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.683g/cm3
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| Index of Refraction |
1.698
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| LogP |
5.815
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
30
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| Complexity |
922
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC(=CC(=C32)N)S(=O)(=O)O)S(=O)(=O)O
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| InChi Key |
ZIQWUYNDHGXLIN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H15NO9S3/c1-10-2-4-12(5-3-10)30(25,26)27-16-9-14(29(22,23)24)7-11-6-13(28(19,20)21)8-15(18)17(11)16/h2-9H,18H2,1H3,(H,19,20,21)(H,22,23,24)
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| Chemical Name |
4-Amino-5-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonic acid
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| Synonyms |
NSC16168
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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 : ~31.25 mg/mL (~66.00 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.39 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.39 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 20.8 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 | 2.1119 mL | 10.5597 mL | 21.1193 mL | |
| 5 mM | 0.4224 mL | 2.1119 mL | 4.2239 mL | |
| 10 mM | 0.2112 mL | 1.0560 mL | 2.1119 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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