Name: Name:3-Bromocytisine
Brand: AABLOCKS
SKU: AA00BJOB
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00BJOB

Chemical Name: 3-Bromocytisine

CAS Number: 207390-14-5

Molecular Formula: C11H13BrN2O

Molecular Weight: 269.1377

MDL Number: MFCD19690912

SMILES: O=c1c(Br)ccc2n1C[C@@H]1CNC[C@H]2C1

Properties

Complexity: 375

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 2

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 15

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 0

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.1

Literature fold

Title: Identification of 9-fluoro substituted (-)-cytisine derivatives as ligands with high affinity for nicotinic receptors.

Journal: Bioorganic & medicinal chemistry letters20101115

Title: In silico characterization of cytisinoids docked into an acetylcholine binding protein.

Journal: Bioorganic & medicinal chemistry letters20100615

Title: Discovery of 4-(5-methyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]nonane (CP-810,123), a novel alpha 7 nicotinic acetylcholine receptor agonist for the treatment of cognitive disorders in schizophrenia: synthesis, SAR development, and in vivo efficacy in cognition models.

Journal: Journal of medicinal chemistry20100211

Title: Synthesis and SAR studies of 1,4-diazabicyclo[3.2.2]nonane phenyl carbamates--subtype selective, high affinity alpha7 nicotinic acetylcholine receptor agonists.

Journal: Bioorganic & medicinal chemistry letters20090815

Title: Neuronal nicotinic acetylcholine receptors: structural revelations, target identifications, and therapeutic inspirations.

Journal: Journal of medicinal chemistry20050728

Title: Houlihan LM, et al. Activity of cytisine and its brominated isosteres on recombinant human alpha7, alpha4beta2 and alpha4beta4 nicotinic acetylcholine receptors. J Neurochem. 2001 Sep;78(5):1029-43.

Title: Moroni M, et al. alpha4beta2 nicotinic receptors with high and low acetylcholine sensitivity: pharmacology, stoichiometry, and sensitivity to long-term exposure to nicotine. Mol Pharmacol. 2006 Aug;70(2):755-68.

207390-14-5 | 3-Bromocytisine