NS398

HCID 4553CAS 123653-11-2

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Basic information

Standard SMILES
CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1
InChIKey
KTDZCOWXCWUPEO-UHFFFAOYSA-N
Molecular formula
C13H18N2O5S
Average molar mass
314.363 g/mol
Monoisotopic mass
314.09364268

Names & identifiers

Preferred name
NS398
IUPAC
N-[2-(Cyclohexyloxy)-4-nitrophenyl]methanesulfonamide
English name
NS-398
Molecular formula
C13H18N2O5S
Molecular weight
314.36

Names & synonyms

NS NSNS-398CS-2231NS-398 98%Taisho NS 398NS-398 (NS 398NS-398 USP/EP/BPglycolysis inhibitorNS-398, 10 mM in DMSONS 398, COX-2 inhibitor

Database identifiers

CAS
123653-11-2
PubChem CID
4553
DTXSID
DTXSID8041084
ChEMBL
CHEMBL7162
ChEBI
CHEBI:73458
UNII
9SP55KM2KS
Nikkaji
J541.148C

Properties

Physicochemical properties

Melting point
124 · 124-126 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Boiling point
490.6 · 490.6±55.0 °C(Predicted)
Density
1.377 · 1.377±0.06 g/cm3(Predicted)
RTECS
473500 · PB0473500
storage temp.
Sealed in dry,Room Temperature
solubility
5 mg/mL · DMSO: >5 mg/mL

Safety & regulation

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
2935.90.9500
safety_code
22-24/25
Storage Class
11 - Combustible Solids

Chemistry & industry

Applications

DescriptionNS-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.

UsesNS-398 is a selective Cox-2 inhibitor neuroprotective agent.

Upstream & downstream products

Downstream products

Suppliers50 total

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

Additional notes

DefinitionChEBI: A C-nitro compound that is N-methylsulfonyl-4-nitroaniline bearing an additional cyclohexyloxy substituent at position 2.

Related reactions

1 records
New reaction record

Linked notes

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