| Stereochemistry | EPIMERIC |
| Molecular Formula | C49H57N11O6 |
| Molecular Weight | 896.047 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC(=N)NCCC[C@H](NC(=O)CC5(CC(=O)N1CCN(CC1)C2C3=CC=CC=C3NC(=O)C4=CC=CC=C24)CCCC5)C(=O)NCCN6C(=O)N(N(C6=O)C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChIKey=RSJAXPUYVJKAAA-JPGJPTAESA-N
InChI=1S/C49H57N11O6/c50-46(51)53-25-13-22-40(45(64)52-26-27-58-47(65)59(34-14-3-1-4-15-34)60(48(58)66)35-16-5-2-6-17-35)54-41(61)32-49(23-11-12-24-49)33-42(62)56-28-30-57(31-29-56)43-36-18-7-8-19-37(36)44(63)55-39-21-10-9-20-38(39)43/h1-10,14-21,40,43H,11-13,22-33H2,(H,52,64)(H,54,61)(H,55,63)(H4,50,51,53)/t40-,43?/m0/s1
| Molecular Formula | C49H57N11O6 |
| Molecular Weight | 896.047 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
BIIE-0246 is a highly potent, high affinity antagonist selective for the Y2 receptor subtype. BIIE-0246 is a drug used in scientific research, it was one of the first non-peptide Y2-selective antagonists developed, and remains among the most widely used tools for studying this receptor. It has been used to demonstrate a role for the Y2 subtype as a presynaptic autoreceptor limiting further neuropeptide Y release, as well as modulating dopamine and acetylcholine release. Blockade of central neuropeptide Y (NPY) Y2 receptors by BIIE-0246 has being shown to reduce ethanol self-administration in rats.
CNS Activity
Originator
Approval Year
PubMed
Patents
Sample Use Guides
Mice: BIIE-0246 was injected intraperitoneally into adult mice at 10 mg/kg.
Route of Administration:
Intraperitoneal
Adjacent coronal rat brain sections were incubated with
[125I]PYY3 ± 36 in the presence of increasing concentration
(0.1 nM ± 10 uM) of BIIE-0246 and demonstrated that specifc
[125I]PYY3 ± 36 binding was fully competed by BIIE-0246 in most brain structures. Receptor binding assays in HEK 293 cells transfected with
the rat Y2 receptor cDNA demonstrated that BIIE-0246
competed with high anity (IC50=15+3 nM) against specific [125I]PYY3 ± 36 binding sites. In contrast, BIIE-0246, at concentrations up to 10 uM, failed to
compete for signifcant amounts of specifc [125I]GR231118,
[125I]hPP and [125I][Leu31,Pro34]PYY binding sites in HEK
293 cells transfected with the rat Y1, Y4 or Y5 receptor cDNA, respectively.
