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Chemical structure of Zaloglanstat

GC63394

Zaloglanstat

Also known as N-[[4-chloro-3-[5-oxo-1-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]phenyl]methyl]-2,2-dimethylpropanamide

Zaloglanstat (ISC-27864) is the inhibitor of the microsomal prostaglandin E synthase-1 (mPGES-1), and can be used to study asthma, osteoarthritis, rheumatoid arthritis, acute or chronic pain and neurodegenerative diseases, etc

ChemicalCAS1513852-12-4MW452.86FormulaC21H20ClF3N4O2
CAS number
1513852-12-4
Molecular weight
452.86
Formula
C21H20ClF3N4O2
Solubility
DMSO ： 250 mg/mL (552·05 mM; Need ultrasonic)
InChIKey
DOVBVLUPCQSAGE-UHFFFAOYSA-N
Catalogue number
GC63394
Brand
GLPBIO
Computed properties PubChem CID 136246033 · XLogP 4.6 · TPSA 73.8 Ų · H-bond donors 2
XLogP
4.6
TPSA
73.8 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31

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

Computed descriptors from PubChem (CID 136246033), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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