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BIBO3304 (free base)

CAT: 0804-HY-120096Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-120096Size:1 Each
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Description
BIBO3304 free base is a nonpeptide neuropeptide Y Y1 receptor antagonist. BIBO3304 free base displays subnanomolar affinity for both the human and the rat Y1 receptor, with IC50 values of 0.38 nM and 0.72 nM, respectively. BIBO3304 free base significantly inhibits food intake induced by application of NPY or by fasting[1].
CAS Number
191868-13-0
UNSPSC
12352005
Target
Neuropeptide Y Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/bibo3304-free-base.html
Smiles
O=C([C@@H](CCC/N=C(N)\N)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)=O)NCC3=CC=C(C=C3)CNC(N)=O
Molecular Formula
C29H35N7O3
Molecular Weight
529.63
References & Citations
[1]Wieland HA, et al. Subtype selectivity of the novel nonpeptide neuropeptide Y Y1 receptor antagonist BIBO 3304 and its effect on feeding in rodents. Br J Pharmacol. 1998 Oct;125 (3) :549-55.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Bibo3304

BIBO-3457 is the inactive enantiomer

CAS Number191868-13-0
PubChem CID5311022
IUPAC Name(2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide
Molecular FormulaC29H35N7O3
Molecular Weight529.6
XLogP1.4
Topological Polar Surface Area178
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count39
Formal Charge0
Complexity779
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)CNC(=O)N
InChI
InChI=1S/C29H35N7O3/c30-28(31)33-17-7-12-24(26(37)34-18-20-13-15-21(16-14-20)19-35-29(32)39)36-27(38)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,37)(H,36,38)(H4,30,31,33)(H3,32,35,39)/t24-/m1/s1
InChIKey
TVMJSGGZULFVCZ-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of Bibo3304
CAS: 191868-13-0
CID: 5311022
Formula: C29H35N7O3
MW: 529.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.6
XLogP31.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass529.28013800
Monoisotopic Mass529.28013800
Topological Polar Surface Area178 Ų
Heavy Atom Count39
Formal Charge0
Complexity779
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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