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SC 560

CAT: 0607-B6786-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B6786-25Size:25 mg
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Description
COX-1-selective inhibitor
CAS Number
188817-13-2
Product Name Alternative
5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
Field of Research
Neuroscience COX
Purity
0.9826
Form
A solid
Solubility
≥35.3 mg/mL in DMSO; insoluble in H2O; ≥18.8 mg/mL in EtOH with ultrasonic
Smiles
ClC1=CC=C(C=C1)C2=CC(C(F)(F)F)=NN2C(C=C3)=CC=C3OC
Molecular Formula
C17H12ClF3N2O
Molecular Weight
352.74
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole

SC560 is a member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-methoxyphenyl, trifluoromethyl and 4-chlorophenyl groups, respectively. Unlike many members of the diaryl heterocycle class of cyclooxygenase (COX) inhibitors, SC-560 is selective for COX-1. It has a role as a non-steroidal anti-inflammatory drug, an antineoplastic agent, a cyclooxygenase 1 inhibitor, an angiogenesis modulating agent and an apoptosis inducer. It is a member of pyrazoles, an aromatic ether, an organofluorine compound and a member of monochlorobenzenes.

CAS Number188817-13-2
PubChem CID4306515
IUPAC Name5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
Molecular FormulaC17H12ClF3N2O
Molecular Weight352.7
XLogP5.1
Topological Polar Surface Area27.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity407
SMILES
COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
InChIKey
PQUGCKBLVKJMNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
CAS: 188817-13-2
CID: 4306515
Formula: C17H12ClF3N2O
MW: 352.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.7
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass352.0590252
Monoisotopic Mass352.0590252
Topological Polar Surface Area27.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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