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Celecoxib (GMP Like)

CAT: 0804-HY-14398GLSize: 1 EachDry Ice: NoHazardous: No
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Description
Celecoxib (SC 58635) GMP Like is a GMP-class Celecoxib. Celecoxib, a selective non-steroidal anti-inflammatory drug (NSAID), is a selective COX-2 inhibitor with an IC50 of 40 nM.
CAS Number
169590-42-5
Product Name Alternative
SC 58635 (GMP Like)
UNSPSC
12352005
Hazard Statement
H360-H373-H401-H410
Target
COX
Type
GMP Small Molecules
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/celecoxib-gmp-like.html
Solubility
10 mM in DMSO
Smiles
CC1=CC=C(C=C1)C2=CC(C(F)(F)F)=NN2C3=CC=C(C=C3)S(=O)(N)=O
Molecular Formula
C17H14F3N3O2S
Molecular Weight
381.37
Precautions
P260-P273-P280-P391-P405-P501
References & Citations
[1]Penning TD, et al. Synthesis and biological evaluation of the 1,5-diarylpyrazole class of cyclooxygenase-2 inhibitors: identification of 4-[5- (4-methylphenyl) -3- (trifluoromethyl) -1H-pyrazol-1-yl]benze nesulfonamide (SC-58635, celecoxib) . J Med Chem. 1997|[2]Liu DB, et al. Celecoxib induces apoptosis and cell-cycle arrest in nasopharyngeal carcinoma cell lines via inhibition of STAT3 phosphorylation. Acta Pharmacol Sin. 2012 May;33 (5) :682-90.|[3]Suri A, et al. The effect of celecoxib on tumor growth in ovarian cancer cells and a genetically engineered mouse model of serous ovarian cancer. Oncotarget. 2016 Apr 8.|[4]Hou XL, et al. Combination of fasudil and celecoxib promotes the recovery of injured spinal cord in rats better than celecoxib or fasudil alone. Neural Regen Res. 2015 Nov;10 (11) :1836-40.|[5]Liu C, et al. Celecoxib alleviates nonalcoholic fatty liver disease by restoring autophagic flux. Sci Rep. 2018 Mar 7;8 (1) :4108.|[6]Pobbati AV, et al. A combat with the YAP/TAZ-TEAD oncoproteins for cancer therapy. Theranostics. 2020 Feb 18;10 (8) :3622-3635.
Shipping Conditions
Room temperature
Scientific Category
GMP Small Molecules
Clinical Information
Phase 4

Chemical Information

Celecoxib

Celecoxib is a member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis. It has a role as a geroprotector, a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and a cyclooxygenase 2 inhibitor. It is a member of pyrazoles, a member of toluenes, a sulfonamide and an organofluorine compound.

CAS Number169590-42-5
PubChem CID2662
IUPAC Name4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.4
XLogP3.4
Topological Polar Surface Area86.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity577
SMILES
CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChIKey
RZEKVGVHFLEQIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Celecoxib
CAS: 169590-42-5
CID: 2662
Formula: C17H14F3N3O2S
MW: 381.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass381.07588236
Monoisotopic Mass381.07588236
Topological Polar Surface Area86.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity577
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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IGF-08THPGMP Recombinant Human LR3 Insulin-like Growth Factor-1
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168531SUMO (Small Ubiquitin-like Modifier, GAP modifying protein 1, GMP 1, PIC 1, Sentrin, Small ubiquitin related modifier 1)
353242CD62P (Antigen CD62, CD62 Antigen Like Family Member P, CD62P Antigen, GMP 140, GMP140, GMP-140, GMRP, GRMP, Granule Membrane Protein 140, Granule Membrane Protein 140kD, LECAM 3, LECAM3, LYAM3, P Selectin, PADGEM, PSelectin, P-Selectin, Selectin P)
C2548-89LP-Selectin (SELP, CD62 antigen-like family member P, Granule membrane protein 140, GMP-140, Leukocyte-endothelial cell adhesion molecule 3, LECAM3, PADGEM, CD-antigen: CD62P) discontinued
397547Selp (P-Selectin, CD62 Antigen-Like Family Member P, Granule Membrane Protein 140, GMP-140, Leukocyte-Endothelial Cell Adhesion Molecule 3, LECAM3, Platelet Activation Dependent Granule-External Membrane Protein, PADGEM, CD62P, Grmp)
C2415-55ZCD62P (P-Selectin, CD62 Antigen-like Family Member P, Granule Membrane Protein 140, GMP-140, Leukocyte-endothelial Cell Adhesion Molecule 3, LECAM3, Platelet Activation Dependent Granule-external Membrane Protein, PADGEM, SELP, GMRP, GRMP)
124666-APCCD62P (P-Selectin, CD62 Antigen-like Family Member P, Granule Membrane Protein 140, GMP-140, Leukocyte-endothelial Cell Adhesion Molecule 3, LECAM3, Platelet Activation Dependent Granule-external Membrane Protein, PADGEM, SELP, GMRP, GRMP) (APC)

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