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BU72

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BU72

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BU72
Identifiers

IUPAC name (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol
CAS Number	173265-76-4^Y
PubChem CID	137348291
IUPHAR/BPS	9363
ChemSpider	9662011
UNII	KVN8RP2FQX
ChEMBL	ChEMBL4649916
PDB ligand	VF1 (PDBe, RCSB PDB)
Chemical and physical data
Formula	C₂₈H₃₂N₂O₂
Molar mass	428.576 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CO[C@]12C=C[C@]34C[C@@]1(C)[C@H](N[C@H]2[C@@]35CCN(C)[C@@H]4Cc6ccc(O)cc56)c7ccccc7
InChI InChI=InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23-,24+,25+,26-,27+,28+/m1/s1 Key:RGJHUVJQGAAZLK-GKTFKBBASA-N

BU72 is an extremely potent opioid, with one of the highest known affinities for the μ-opioid receptor. In animal studies, it was found to be a potent analgesic, with a slow onset and long duration of action, but was not considered suitable to develop for medical use. It was used to produce the first crystal structure of the active μ-opioid receptor, and is now widely used to model the activation process. The stereochemistry has recently been revised, with the phenyl group in the (R) configuration, which has been accepted by the authors of the crystal structure.

BU72 original proposed structure ((S)-phenyl epimer)

BU72

See also