3,5-Dibromocytisine
AlkaPlorer ID: AK002810
Synonym: None
IUPAC Name: (1R,9S)-3,5-dibromo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Structure
SMILES: C1[C@H]2CNC[C@@H]1C3=C(C=C(C(=O)N3C2)Br)Br
InChI: InChI=1S/C11H12Br2N2O/c12-8-2-9(13)11(16)15-5-6-1-7(10(8)15)4-14-3-6/h2,6-7,14H,1,3-5H2/t6-,7+/m0/s1
InChIKey: UIRFWXCFBPYLDL-NKWVEPMBSA-N
Reference
Synthesis of N-Arylcytisine Derivatives Using the Copper-Catalyzed Chan-Lam Coupling
PubChem CID: 15519734
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 348.03799999999995
TPSA？: 34.03
MolLogP？: 2.08
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Neuronal acetylcholine receptor; alpha4/beta2 | IC50 | 371.54 | nM | 10.1016/j.bmcl.2010.04.092 |