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GJG057

CAT: 0013-GTR19249530-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249530-01Size:1 mg
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Description
GJG057 is a potent and selective oral inhibitor of Leukotriene C4 synthase (LTC4S), demonstrating an IC50 of 44 nM in human whole blood. It shows anti-inflammatory efficacy in murine asthma models, supporting its research use in studying allergic inflammation pathways in both in vitro and in vivo settings.
CAS Number
2761767-18-2
Product Name Alternative
GJG-057
Field of Research
Metabolism Research
Purity
99.80% (May vary between batches)
Solubility
DMSO:40 mg/mL (87.64 mM)
Smiles
O=C1N (C2=CC=C (F) C (F) =C2) C3 (CCN (C=4N=CN=C (OCC (F) (F) F) C4) CC3) CCC1
Molecular Formula
C21H21F5N4O2
Molecular Weight
456.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 162778515
CAS Number2761767-18-2
PubChem CID162778515
IUPAC Name1-(3,4-difluorophenyl)-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
Molecular FormulaC21H21F5N4O2
Molecular Weight456.4
XLogP4.1
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity659
SMILES
C1CC(=O)N(C2(C1)CCN(CC2)C3=CC(=NC=N3)OCC(F)(F)F)C4=CC(=C(C=C4)F)F
InChI
InChI=1S/C21H21F5N4O2/c22-15-4-3-14(10-16(15)23)30-19(31)2-1-5-20(30)6-8-29(9-7-20)17-11-18(28-13-27-17)32-12-21(24,25)26/h3-4,10-11,13H,1-2,5-9,12H2
InChIKey
AQDBIXQGLAUSIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 162778515
CAS: 2761767-18-2
CID: 162778515
Formula: C21H21F5N4O2
MW: 456.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass456.15846674
Monoisotopic Mass456.15846674
Topological Polar Surface Area58.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity659
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
T205247-01GJG057

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