Sofiniclin - Moligand™,≥98% , Neuronal acetylcholine receptor; alpha4/beta2 agonist, CAS No.799279-80-4, Neuronal acetylcholine receptor; alpha4/beta2 agonist

CAS: 799279-80-4 Cat. No.: S649147 Formula: C₁₀H₁₁Cl₂N₃ Peso molecolare: 244.12 PubChem CID: 10131048

GRADE & PURITY Moligand™, ≥98%

Synonyms

Sofinicline | Sofinicline [USAN:INN] | (1S, 5S)-3-(5,6-Dichloro-pyridin-3-yl)-3,6-diaza-bicyclo[3.2.0]heptane | SQC232V4YY | (1S, 5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diaza-bicyclo[3.2.0]heptane | DTXSID901000842 | ABT-894 | D09382 | SCHEMBL650488 | A-422

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

Sofiniclin (ABT 894), an agonist of nicotinic acetylcholine receptor (nAChR) , is used as a potential non-stimulant research for attention-deficit/hyperactivity disorder (ADHD).

In Vitro

Sofiniclin is more potent than ABT-089 at both receptor subtypes, with K i values of 1.9 nM for 125 I-α-conotoxinMII binding and of 1.3 nM for 125 I-epibatidine binding. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Sofiniclin (0.001 to 0.10 mg/kg, p.o.) produces significant reductions in LIDs compared to vehicle monkey . Sofiniclin (0.1 mg/kg) does not decrease LIDs in monkeys with severe nigrostriatal damage. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Sinonimi

Sofinicline | Sofinicline [USAN:INN] | (1S, 5S)-3-(5,6-Dichloro-pyridin-3-yl)-3,6-diaza-bicyclo[3.2.0]heptane | SQC232V4YY | (1S, 5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diaza-bicyclo[3.2.0]heptane | DTXSID901000842 | ABT-894 | D09382 | SCHEMBL650488 | A-422

Specifiche e purezza

Moligand™,≥98%

Meccanismi biochimici e fisiologici

Sofiniclin (ABT 894), an agonist of nicotinic acetylcholine receptor (nAChR) , is used as a potential non-stimulant research for attention-deficit/hyperactivity disorder (ADHD).

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

AGONIST

Meccanismo d'azione

Neuronal acetylcholine receptor; alpha4/beta2 agonist

Purezza

≥98%

Proprietà del prodotto

• ALogP: 2

Nomi e identificatori

• Sorrisi canonici: C1[C@H]2CN(C[C@H]2N1)C3=CC(=C(N=C3)Cl)Cl
• IUPAC Name: (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane
• InChIKey: MBQYQLWSBRANKQ-IMTBSYHQSA-N
• INCHI: 1S/C10H11Cl2N3/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15/h1,3,6,9,13H,2,4-5H2/t6-,9+/m0/s1
• Isomeri SMILES: C1[C@H]2CN(C[C@H]2N1)C3=CC(=C(N=C3)Cl)Cl
• PubChem CID: 10131048
• Peso molecolare: 244.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Dialkylarylamines Aminopyridines and derivatives 2-halopyridines 1,4-diazepanes Aryl chlorides Pyrrolidines Heteroaromatic compounds Azetidines Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tertiary aliphatic/aromatic amine - Polyhalopyridine - Dialkylarylamine - 1,4-diazepane - 2-halopyridine - Aminopyridine - Diazepane - Aryl chloride - Aryl halide - Pyrrolidine - Heteroaromatic compound - Azetidine - Tertiary amine - Secondary amine - Secondary aliphatic amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• 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

Obiettivi associati (umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : 35.71 mg/mL (146.28 mM; ultrasonic and warming and heat to 60°C)
• Peso molecolare: 244.120 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 243.033 Da
• Monoisotopic Mass: 243.033 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 251.000
• 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

Domande frequenti

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 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 799279-80-4, the molecular formula is C10H11Cl2N3, and the molecular weight is 244.12 g/mol. InChIKey MBQYQLWSBRANKQ-IMTBSYHQSA-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.