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3-Bromocytisine

CAT: 0804-HY-107684-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107684-01Size:5 mg
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Description
3-Bromocytisine (3-Br-cytisine) is a potent nACh receptors agonist, with IC50s are 0.28, 0.30 and 31.6 nM for hα4β4, hα4β2, and hα7-nACh, respectively. 3-Bromocytisine (3-Br-cytisine) shows different effects on high (HS) and low (LS) ACh sensitivity α4β2 nAChRs with EC50s are 8 and 50 nM, respectively[1][2].
CAS Number
207390-14-5
Product Name Alternative
3-Br-cytisine
UNSPSC
12352005
Target
NAChR
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/3-bromocytisine.html
Purity
99.90
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1N2C([C@]3([H])C[C@](CNC3)([H])C2)=CC=C1Br
Molecular Formula
C11H13BrN2O
Molecular Weight
269.14
References & Citations
[1]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.|[2]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.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(1R,5S)-9-Bromo-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one

structure in first source

CAS Number207390-14-5
PubChem CID15519735
IUPAC Name(1R,9S)-5-bromo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Molecular FormulaC11H13BrN2O
Molecular Weight269.14
XLogP1.1
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity375
SMILES
C1[C@H]2CNC[C@@H]1C3=CC=C(C(=O)N3C2)Br
InChI
InChI=1S/C11H13BrN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2/t7-,8+/m0/s1
InChIKey
DWDCLEHDNICBMI-JGVFFNPUSA-N
Chemical Structure
2D Structure
2D structure of (1R,5S)-9-Bromo-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one
CAS: 207390-14-5
CID: 15519735
Formula: C11H13BrN2O
MW: 269.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.14
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass268.02113
Monoisotopic Mass268.02113
Topological Polar Surface Area32.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity375
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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