Home Categories Pharmaceutical intermediates Valdecoxib
A8361312

Valdecoxib , ≥99% , 181695-72-7

Synonym(s):
4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide

CAS NO.:181695-72-7

Empirical Formula: C16H14N2O3S

Molecular Weight: 314.36

MDL number: MFCD00950568

EINECS: 803-082-3

Pack Size Price Stock Quantity
10MG RMB95.20 In Stock
50MG RMB183.20 In Stock
1g RMB326.40 In Stock
5g RMB1197.60 In Stock
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Update time: 2022-07-08

PRODUCT Properties

Melting point: 162-164°C
Boiling point: 481.2±55.0 °C(Predicted)
Density  1.303±0.06 g/cm3(Predicted)
storage temp.  room temp
solubility  DMSO: >25mg/mL
form  powder
pka 9.83±0.10(Predicted)
color  white to off-white
Henry's Law Constant 4.5×105 mol/(m3Pa) at 25℃, HSDB (2015)
InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
InChIKey LNPDTQAFDNKSHK-UHFFFAOYSA-N
SMILES C1(S(N)(=O)=O)=CC=C(C2=C(C)ON=C2C2=CC=CC=C2)C=C1
CAS DataBase Reference 181695-72-7(CAS DataBase Reference)

Description and Uses

Valdecoxib is a second-generation COX-2 inhibitor, developed as a follow-up to celecoxib for the oral once-daily treatment of osteoarthritis, adult rheumatoid arthritis and menstrual pain. Valdecoxib is approximately 28,000-fold more selective against human recombinant COX-2 than human recombinant COX-1. In an ex viva human whole blood assay, the I&O values against COX-2 and COX-1 were respectively 0.89 PM and 25.4 FM. In animal models, valdecoxib possesses excellent oral activity as an antiinflammatory. In rats, valdecoxib potently inhibited carrageenan footpad edema and adjuvant-induced arthritis.

Valdecoxib is a nonsteroidal anti-inflammatory drug (NSAID) that exhibits anti-inflammatory, analgesic and antipyretic properties in animal models. It is a potent and selective inhibitor of prostaglandin synthesis primarily through inhibition of COX-2. Valdecoxib is used to relieve some symptoms caused by arthritis (rheumatism), such as inflammation, swelling, stiffness, and joint pain.

Safety

Symbol(GHS)  Health Hazard (GHS08)Environment (GHS09)
GHS08,GHS09
Signal word  Warning
Hazard statements  H361d-H373-H410
Precautionary statements  P201-P202-P260-P273-P280-P308+P313
Hazard Codes  Xn,N
Risk Statements  63-48/22-51/53
Safety Statements  36/37-61
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 1
Repr. 2
STOT RE 2
Hazardous Substances Data 181695-72-7(Hazardous Substances Data)

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