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BIBO3304

CAT: 0931-T26800-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26800-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
191868-13-0
Target
Neuropeptide Y Receptor, Others
Related Pathways
GPCR/G Protein, Neuroscience, Others
Bioactivity
BIBO3304 is a selective NPY Y1 receptor antagonist (IC50 values are 0.38 and 0.72 nM at human and rat receptors respectively) . BIBO3304 inhibits NPY- and fasting-induced feeding in vivo following central administration.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
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