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BIBO3304

CAT: 0013-GTR19198088-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198088-02Size:50 mg
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Description
BIBO3304 is a potent and selective neuropeptide Y Y1 receptor antagonist, with IC50 values of 0.38 nM (human) and 0.72 nM (rat) . It is a valuable research tool for studying energy balance and feeding behavior, as it effectively inhibits both NPY- and fasting-induced food intake in central administration in vivo models.
CAS Number
191868-13-0
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (C (N[C@@H] (C (NCC1=CC=C (CNC (N) =O) C=C1) =O) CCCNC (=N) N) =O) (C2=CC=CC=C2) C3=CC=CC=C3
Molecular Formula
C29H35N7O3
Molecular Weight
529.63
Storage Conditions
-20°C
Notes
For research use only.

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

Alternative Products

CatalogName
MBS5776527BIBO3304
MBS5764587BIBO3304 TFA
T84889BIBO3304 diTFA
HY-107725ABIBO3304 (diTFA)
HY-120096BIBO3304 (free base)

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