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S 25585

CAT: 0013-GTR19200888-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200888-02Size:50 mg
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Description
S 25585 is a selective small molecule antagonist of the neuropeptide Y Y5 receptor. It is a valuable research tool for investigating the role of the NPY Y5 receptor in feeding behavior, energy homeostasis, and metabolic disorders in both in vitro and in vivo experimental models.
CAS Number
263849-50-9
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
S (NC[C@H]1CC[C@H] (C (NNC (=O) C2=CC=CC=C2) =O) CC1) (=O) (=O) C3=C (N (=O) =O) C=C (C (F) (F) F) C=C3
Molecular Formula
C22H23F3N4O6S
Molecular Weight
528.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Benzoyl-2-[[trans-4-[[[[2-nitro-4-(trifluoromethyl)phenyl]sulfonyl]amino]methyl]cyclohexyl]carbonyl]hydrazine
CAS Number263849-50-9
PubChem CID10029880
IUPAC NameN-[[4-(benzamidocarbamoyl)cyclohexyl]methyl]-2-nitro-4-(trifluoromethyl)benzenesulfonamide
Molecular FormulaC22H23F3N4O6S
Molecular Weight528.5
XLogP3.5
Topological Polar Surface Area159
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity891
SMILES
C1CC(CCC1CNS(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)NNC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H23F3N4O6S/c23-22(24,25)17-10-11-19(18(12-17)29(32)33)36(34,35)26-13-14-6-8-16(9-7-14)21(31)28-27-20(30)15-4-2-1-3-5-15/h1-5,10-12,14,16,26H,6-9,13H2,(H,27,30)(H,28,31)
InChIKey
BRMJFKLHWFZWOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzoyl-2-[[trans-4-[[[[2-nitro-4-(trifluoromethyl)phenyl]sulfonyl]amino]methyl]cyclohexyl]carbonyl]hydrazine
CAS: 263849-50-9
CID: 10029880
Formula: C22H23F3N4O6S
MW: 528.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.5
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass528.12904013
Monoisotopic Mass528.12904013
Topological Polar Surface Area159 Ų
Heavy Atom Count36
Formal Charge0
Complexity891
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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