2-(4-Ethoxyphenyl)-3-(4-(methylsulfonyl)phenyl)pyrazolo(1,5-b)pyridazine
Basic information
- CAS
221148-46-5- Standard SMILES
CCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1- InChIKey
NXMZBNYLCVTRGB-UHFFFAOYSA-N- Molecular formula
- C21H19N3O3S
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.11471265
Overview
GW-406381 has been used in trials studying the treatment of Pain, Trauma, Neurodynia, Dental Pain, and Hyperalgesia, among others.
Names & identifiers
- Preferred name
- 2-(4-Ethoxyphenyl)-3-(4-(methylsulfonyl)phenyl)pyrazolo(1,5-b)pyridazine
- IUPAC
- 2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
- English name
- 2-(4-ETHOXYFENYL)-3-(4-MESYLFENYL)PYRAZOLO[1,5-B]PYRIDAZINE
- Molecular formula
- C21H19N3O3S
- Molecular weight
- 393.46
Names & synonyms
GW-406381221148-46-52-(4-ethoxyphenyl)-3-[4-(methylsulfonyl)phenyl]pyrazolo[1,5-b]pyridazine2-(4-ethoxyphenyl)-3-(4-(methylsulfonyl)phenyl)pyrazolo[1,5-b]pyridazine5Y869C2THEDTXSID60202043Pyrazolo(1,5-b)pyridazine, 2-(4-ethoxyphenyl)-3-(4-(methylsulfonyl)phenyl)-2-(4-ETHOXYPHENYL)-3-(4-(METHYLSULFONYL)PHENYL)PYRAZOLO(1,5-B)PYRIDAZINERefChem:909327DTXCID601245342-(4-ethoxyphenyl)-3-(4-methanesulfonylphenyl)pyrazolo(1,5-b)pyridazineGW406381
Show more names
GW 406381,GW406381GW 406381 - GW 406381X2-(4-ETHOXYFENYL)-3-(4-MESYLFENYL)PYRAZOLO[1,5-B]PYRIDAZINEPyrazolo[1,5-b]pyridazine, 2-(4-ethoxyphenyl)-3-[4-(methylsulfonyl)phenyl]-
GW 406381GW 406381XGW406381XCHEMBL3648042-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine537697-89-52-(4-Ethoxy-phenyl)-3-(4-methanesulfonyl-phenyl)-pyrazolo[1,5-b]pyridazineUNII-5Y869C2THE
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 607
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 25 · DMSO, sonicated:25.0(Max Conc. mg/mL);63.0(Max Conc. mM)
- form
- A solid
- pka
- 0.65 · 0.65±0.30(Predicted)
- color
- White to yellow
- FDA UNII
- 5 Y869C2THE · 5Y869C2THE
Chemistry & industry
Applications
UsesGW406381, a highly selective cyclooxygenase-2 (COX-2) inhibitor, attenuates spontaneous ectopic discharge in sural nerves of rats following chronic constriction injury[1][2].
Related reactions
7 records
Compound notes
Loading…