Introduction：Basic information about NS-398 CAS 123653-11-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
NS-398 Basic information
| Product Name: | NS-398 |
| Synonyms: | CS-2231;NS-398 (NS 398;NS-398 - CAS 123653-11-2 - Calbiochem;NS-398;N-[2-(CYCLOHEXYLOXY)-4-NITROPHENYL]-METHANESULFONAMIDE;NS-398 98%;N-[2-(cyclohexoxy)-4-nitro-phenyl]methanesulfonamide;Taisho NS 398 |
| CAS: | 123653-11-2 |
| MF: | C13H18N2O5S |
| MW: | 314.36 |
| EINECS: | |
| Product Categories: | Signalling;NF-κB Signaling;Lipid signaling |
| Mol File: | 123653-11-2.mol |
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NS-398 Chemical Properties
| Melting point | 124-126 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3)) |
| Boiling point | 490.6±55.0 °C(Predicted) |
| density | 1.377±0.06 g/cm3(Predicted) |
| RTECS | PB0473500 |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO: >5 mg/mL |
| form | solid |
| pka | 6.33±0.10(Predicted) |
| color | off-white |
| InChI | 1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3 |
| InChIKey | KTDZCOWXCWUPEO-UHFFFAOYSA-N |
| SMILES | CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+]([O-])=O |
Safety Information
| Safety Statements | 22-24/25 |
| WGK Germany | 3 |
| HS Code | 2935.90.9500 |
| Storage Class | 11 - Combustible Solids |
NS-398 Usage And Synthesis
| Description | NS-398 is a selective inhibitor of cyclooxygenase-2 (COX-2). The IC50 values for human recombinant COX-1 and -2 are 75 and 1.77 μM, respectively. The IC50 values for ovine COX-1 and -2 are 220 and 0.15 μM, respectively. |
| Uses | NS-398 is a selective Cox-2 inhibitor neuroprotective agent. |
| Definition | ChEBI: A C-nitro compound that is N-methylsulfonyl-4-nitroaniline bearing an additional cyclohexyloxy substituent at position 2. |
| Biological Activity | Selective cyclooxygenase-2 inhibitor (IC 50 values are 3.8 and > 100 μ M for COX-2 and COX-1 respectively). Induces apoptosis in colorectal tumor cells and elevates COX-2 protein expression in vitro . Orally active and non-ulcerogenic analgesic and anti-inflammatory in vivo . |
| storage | Store at RT |
| references | [1]. futaki n, takahashi s, yokoyama m, et al. ns-398, a new anti-inflammatory agent, selectively inhibits prostaglandin g/h synthase/cyclooxygenase (cox-2) activity in vitro. prostaglandins, 1994, 47(1): 55-59.
[2]. elder dj, halton de, crew te, et al. apoptosis induction and cyclooxygenase-2 regulation in human colorectal adenoma and carcinoma cell lines by the cyclooxygenase-2-selective non-steroidal anti-inflammatory drug ns-398. int j cancer, 2000, 86(4): 553-560.
[3]. mack strong ve, mackrell pj, concannon em, et al. ns-398 treatment after trauma modifies nf-kappab activation and improves survival. j surg res, 2001, 98(1): 40-46. |
NS-398 Preparation Products And Raw materials
| Preparation Products | Acrylamide-->Glyoxal |
