ChemicalBook--->CAS DataBase List--->123653-11-2

123653-11-2

123653-11-2 Structure

123653-11-2 Structure
IdentificationBack Directory
[Name]

NS-398
[CAS]

123653-11-2
[Synonyms]

NS NS
NS-398
CS-2231
NS-398 98%
Taisho NS 398
NS-398 (NS 398
NS-398 USP/EP/BP
NS-398 - CAS 123653-11-2 - Calbiochem
N-[2-(cyclohexoxy)-4-nitro-phenyl]methanesulfonamide
N-[2-(CYCLOHEXYLOXY)-4-NITROPHENYL]-METHANESULFONAMIDE
Methanesulfonamide, N-[2-(cyclohexyloxy)-4-nitrophenyl]-
NS 398; NS398; N-(2-CYCLOHEXYLOXY-4-NITROPHENYL)METHANE SULFONAMIDE
[Molecular Formula]

C13H18N2O5S
[MDL Number]

MFCD00882995
[MOL File]

123653-11-2.mol
[Molecular Weight]

314.36
Chemical PropertiesBack Directory
[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. ]

Store at RT
[solubility ]

DMSO: >5 mg/mL
[form ]

solid
[pka]

6.33±0.10(Predicted)
[color ]

off-white
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[HS Code ]

2935.90.9500
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Acrylamide-->Glyoxal
Hazard InformationBack Directory
[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]

Cyclooxygenase inhibitor. Selectively inhibits PGH synthase-2 (IC50=1 μM) with no inhibition of PGH synthase-1 at concentrations up to 100 μM. Protects neuronal cultures from LPS-induced neurotoxicity.
[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 -20℃
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

NS-398(123653-11-2)1HNMR
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