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Zaloglanstat

CAT: 0013-GTR19264861-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264861-06Size:50 mg
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Description
Zaloglanstat (ISC-27864) is a selective, orally active mPGES-1 inhibitor with an IC50 of 5 nM against human mPGES-1, demonstrating analgesic effects in osteoarthritis and inflammatory arthritis.
CAS Number
1513852-12-4
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Purity
99.97% (May vary between batches)
Smiles
CC (C) (C) C (=O) NCc1ccc (Cl) c (c1) -c1nn (-c2ccc (cc2) C (F) (F) F) c (=O) [nH]1
Molecular Formula
C21H20ClF3N4O2
Molecular Weight
452.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Zaloglanstat

Zaloglanstat is a small molecule drug. The usage of the INN stem '-glanstat' in the name indicates that Zaloglanstat is a prostaglandin synthase inhibitor. Zaloglanstat has a monoisotopic molecular weight of 452.12 Da.

CAS Number1513852-12-4
PubChem CID136246033
IUPAC NameN-[[4-chloro-3-[5-oxo-1-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]phenyl]methyl]-2,2-dimethylpropanamide
Molecular FormulaC21H20ClF3N4O2
Molecular Weight452.9
XLogP4.6
Topological Polar Surface Area73.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity714
SMILES
CC(C)(C)C(=O)NCC1=CC(=C(C=C1)Cl)C2=NN(C(=O)N2)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C21H20ClF3N4O2/c1-20(2,3)18(30)26-11-12-4-9-16(22)15(10-12)17-27-19(31)29(28-17)14-7-5-13(6-8-14)21(23,24)25/h4-10H,11H2,1-3H3,(H,26,30)(H,27,28,31)
InChIKey
DOVBVLUPCQSAGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zaloglanstat
CAS: 1513852-12-4
CID: 136246033
Formula: C21H20ClF3N4O2
MW: 452.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.9
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass452.1226881
Monoisotopic Mass452.1226881
Topological Polar Surface Area73.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity714
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

Alternative Products

CatalogName
T39000-01Zaloglanstat

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