3-Bromocytisine - Moligand™,≥98% , CAS No.207390-14-5

CAS: 207390-14-5 Cat. No.: B288330 Summenformel: C₁₁H₁₃BrN₂O Molekulargewicht: 269.14

GRADE & PURITY Moligand™, ≥98%

Synonyms

(1R,5S)-9-Bromo-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one | (-)-3-Bromocytisine | (1R,5S)-9-Bromo-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one | UNII-PL64C996QA | BDBM50329578 | SCHEMBL20164035 | 1,5-Metha

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

(1R,5S)-9-Bromo-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one | (-)-3-Bromocytisine | (1R,5S)-9-Bromo-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one | UNII-PL64C996QA | BDBM50329578 | SCHEMBL20164035 | 1,5-Metha

Spezifikationen & Reinheit

Moligand™,≥98%

Biochemische und physiologische Mechanismen

Potent agonist ofα4β4,α4β2 andα7 nACh receptors (IC50values are 0.28, 0.30 and 31.6 nM respectively). Displays different effects on high (HS) and low (LS) ACh sensitivityα4β2 nAChRs (EC50values are 0.008 and 0.05μM respectively).

Storage

Protected from light,Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

AGONIST

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C1C2CNCC1C3=CC=C(C(=O)N3C2)Br

IUPAC Name

(1R,9S)-5-bromo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

InChIKey

DWDCLEHDNICBMI-JGVFFNPUSA-N

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

Isomere SMILES

C1[C@H]2CNC[C@@H]1C3=CC=C(C(=O)N3C2)Br

Molekulargewicht

269.14

Reaxy-Rn

13603832

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13603832&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Klasse Lupin alkaloids
      • Subclass Cytisine and derivatives

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Klasse: Lupin alkaloids
• Subclass: Cytisine and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Cytisine and derivatives
• Alternative Parents: Pyridinones Aralkylamines Piperidines Aryl bromides Heteroaromatic compounds Lactams Dialkylamines Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cytisine - Pyridinone - Aralkylamine - Aryl bromide - Aryl halide - Piperidine - Pyridine - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cytisine and derivatives. These are lupin alkaloids with a structure based on the cytisine skeleton, which is a tetracyclic ketone containing fused pyridine and piperidine rings that form pyrido[1,2a][1,5]diazocin-8-one.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

CHRNA3 Tclin Neuronal acetylcholine receptor subunit alpha-3 (1 Activities)

Discover Target: CHRNA3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CHRNA7 Tchem Neuronal acetylcholine receptor protein alpha-7 subunit (3524 Activities)

Discover Target: CHRNA7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRNA3 Tclin Neuronal acetylcholine receptor subunit alpha-3 (93 Activities)

Discover Target: CHRNA3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

U2OS (164939 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRNB2 Tclin Neuronal acetylcholine receptor; alpha4/beta2 (3972 Activities)

Discover Target: CHRNB2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRNB4 Tclin Neuronal acetylcholine receptor; alpha4/beta4 (276 Activities)

Discover Target: CHRNB4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Chrna3 Neuronal acetylcholine receptor; alpha3/beta4 (1368 Activities)

Discover Target: Chrna3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 26.91, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 26.91, Max Conc. mM: 100
• Empfindlichkeit: Light sensitive
• Molekulargewicht: 269.140 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 268.021 Da
• Monoisotopic Mass: 268.021 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 375.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 207390-14-5, the molecular formula is C11H13BrN2O, and the molecular weight is 269.14 g/mol. InChIKey DWDCLEHDNICBMI-JGVFFNPUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.