Compound Selection

Formula: C22H35NO2

MW: 345.53

CAS: 6879-74-9

TNP NUMBER: TNP00617

MDL NUMBER: MFCD00274559

IUPAC: 8-[(1E)-2-((2S,6R)-1,6-dimethyl(2-piperidyl))vinyl](3S,6S,9S,1R,7R,8R)-6-methy l-5-oxatricyclo[7.4.0.0<3,7>]tridecan-4-one

Smiles: C1C[C@@H]2([C@H]([C@@H]3[C@H](C[C@H]2CC1)C(=O)O[C@H]3C)\C=C\[C@H]1N([C@@H](CCC1)C)C)

Himbacine is an alkaloid isolated from Galbulimima baccata. It is a potent muscarinic M2/M4 receptor antagonist1,2

REFERENCE: Doller, D., et al., Design, synthesis, and structure-activity relationship studies of himbacine derived muscarinic receptor antagonists. Bioorg. Med. Chem. Lett. 9, 901-906, (1999) abstract Sagrada, A., et al., Himbacine discriminates between putative muscarinic M1 receptor-mediated responses. Life Sci. 54, PL305-PL310, (1994) abstract Miller, J.H., et al., Binding and functional selectivity of himbacine for cloned and neuronal muscarinic receptors. J. Pharmacol. Exp. Ther. 263, 663-667, (1992) abstract Dorje, F., et al., Antagonist binding profiles of five cloned human muscarinic receptor subtypes. J. Pharmacol. Exp. Ther. 256, 727-733, (1991) abstract

SOURCE: Himbacine is an alkaloid isolated from Galbulimima baccata.

ACCEPTORS: 2

DONORS: 0

ROTATION BONDS: 0

N+O: 3

Chiral Centers: 8

LogP: 7.32

LogS: -5.92

LIPINSKI: 3

Chemical Compounds - BioActive Compounds

Structure Search Shop Online Download Databases Request a CD
Structure Search eChemStore Download Request CD

Site Search

Compound Search

share

FacebookTwitterLinkedin

Contact Us

Toll Free 800-574-7391
Phone: 302-292-8500
Fax: 302-292-8520

Chem-TCM is the digital database of molecules from plants used in the traditional Chinese medicine
MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock
Chemistry reagents, HPLC columns, natural compounds
innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management