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URB447

CAT: 0931-T84488-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84488-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1132922-57-6
Target
Others, Cannabinoid Receptor
Related Pathways
Others, GPCR/G Protein
Bioactivity
URB447, a peripherally restricted CB1 cannabinoid antagonist with IC50 values of 313 nM for rat CB1 receptor and 41 nM for human CB2 receptor, effectively reduces food intake and body weight gain in mice. It achieves these effects without penetrating the brain or antagonizing central CB1-dependent responses, making it a potential research tool for obesity studies [1].
Smiles
C(N1C(=C(N)C(C(=O)C2=CC=CC=C2)=C1C)C3=CC=CC=C3)C4=CC=C(Cl)C=C4
Molecular Formula
C25H21ClN2O
Molecular Weight
400.9
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(4-amino-1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl)(phenyl)methanone

structure in first source

CAS Number1132922-57-6
PubChem CID25195055
IUPAC Name[4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylpyrrol-3-yl]-phenylmethanone
Molecular FormulaC25H21ClN2O
Molecular Weight400.9
XLogP6.2
Topological Polar Surface Area48
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity535
SMILES
CC1=C(C(=C(N1CC2=CC=C(C=C2)Cl)C3=CC=CC=C3)N)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H21ClN2O/c1-17-22(25(29)20-10-6-3-7-11-20)23(27)24(19-8-4-2-5-9-19)28(17)16-18-12-14-21(26)15-13-18/h2-15H,16,27H2,1H3
InChIKey
KGXYGMKEFDUWNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-amino-1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl)(phenyl)methanone
CAS: 1132922-57-6
CID: 25195055
Formula: C25H21ClN2O
MW: 400.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.9
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass400.1342410
Monoisotopic Mass400.1342410
Topological Polar Surface Area48 Ų
Heavy Atom Count29
Formal Charge0
Complexity535
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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