N-Methylcytisine - CAS 486-86-2
Catalog: |
BB026578 |
Product Name: |
N-Methylcytisine |
CAS: |
486-86-2 |
Synonyms: |
(1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one |
Application: |
Antiarrhythmia |
IUPAC Name: | (1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one |
Description: | Nicotinic receptors of acetylcholine in the CNS.Cytisine and N-methylcytisine have high affinity (KD = 50 nM) to nAChR from squid optical ganglia. N,N-dimethylcytisine did not show high affinity to this receptor. In the case of nAChR from T. marmorata, cytisine was the only effective inhibitor of 14C-tubocurarine specific binding (Ki = 700 nM). N-methyl- and N,N-dimethylcytisine did not displace 14C-tubocurarine at a concentration of 0.1 mM. The results obtained indicate that there are some differences in the structure of nAChR binding sites from squid and T. marmorata optical ganglia. |
Molecular Weight: | 204.27 |
Molecular Formula: | C12H16N2O |
Canonical SMILES: | CN1CC2CC(C1)C3=CC=CC(=O)N3C2 |
InChI: | InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3/t9-,10+/m0/s1 |
InChI Key: | CULUKMPMGVXCEI-VHSXEESVSA-N |
Boiling Point: | 400.8 ℃ at 760 mmHg |
Purity: | > 98 % |
Density: | 1.21 g/cm3 |
Appearance: | White cryst. |
LogP: | 0.83510 |
Quality Standard: | Enterprise Standard |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3834814-A1 | Liquid pharmaceutical composition comprising cytisine | 20191210 |
WO-2021115977-A1 | Liquid pharmaceutical composition comprising cytisine | 20191210 |
EP-3650105-A1 | Novel air purification composition having antiviral and bactericidal functions | 20180716 |
US-2020329717-A1 | Novel air purification composition with antiviral and bactericidal functions | 20180716 |
US-10314931-B2 | Air scavenger composition | 20160810 |
PMID | Publication Date | Title | Journal |
22978215 | 20120801 | Quinolizidine alkaloids from Sophora velutina subsp. zimbabweensis (Fabaceae: Sophoreae) | Natural product communications |
21596111 | 20110901 | Four new fluorenone alkaloids and one new dihydroazafluoranthene alkaloid from Caulophyllum robustum Maxim | Fitoterapia |
20736322 | 20101201 | The Chinese herbal medicine Sophora flavescens activates pregnane X receptor | Drug metabolism and disposition: the biological fate of chemicals |
20835948 | 20101001 | A new cytisine-type alkaloid from the stem bark of Maackia amurensis | Natural product research |
20493692 | 20100615 | In silico characterization of cytisinoids docked into an acetylcholine binding protein | Bioorganic & medicinal chemistry letters |
Complexity: | 359 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.126263138 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.126263138 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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