ABT-107 - ≥98% , Neuronal acetylcholine receptor protein alpha-7 subunit agonist, CAS No.855291-54-2, Neuronal acetylcholine receptor protein alpha-7 subunit agonist

CAS: 855291-54-2 Cat. No.: A649091 Fórmula: C₁₉H₂₀N₄O Peso molecular: 320.39 PubChem CID: 11151363

GRADE & PURITY ≥98%

Synonyms

LUKNJAQKVPBDSC-SFHVURJKSA-N | ABT-107 free base | BDBM50393252 | ABT-107 | (3R)-3-((6-(1H-Indol-5-yl)-3-pyridazinyl)oxy)-1-azabicyclo(2.2.2)octane | SXS38HR98H | 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole | 1-AZABICYCLO(2.2.2)OCTA

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

ABT-107 is a selective α7 neuronal nicotinic receptor agonist. ABT-107 protects against nigrostriatal damage in rats with unilateral 6-hydroxydopamine lesions.

Specifications

Sinónimos

LUKNJAQKVPBDSC-SFHVURJKSA-N | ABT-107 free base | BDBM50393252 | ABT-107 | (3R)-3-((6-(1H-Indol-5-yl)-3-pyridazinyl)oxy)-1-azabicyclo(2.2.2)octane | SXS38HR98H | 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole | 1-AZABICYCLO(2.2.2)OCTA

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

ABT-107 is a selective α7 neuronal nicotinic receptor agonist. ABT-107 protects against nigrostriatal damage in rats with unilateral 6-hydroxydopamine lesions.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

AGONIST

Mecanismo de ação

Neuronal acetylcholine receptor protein alpha-7 subunit agonist

Pureza

≥98%

Propriedades do produto

• ALogP: 2.6

Nomes e identificadores

• Pubchem Sid: 528763006
• Sorrisos canónicos: C1CN2CCC1C(C2)OC3=NN=C(C=C3)C4=CC5=C(C=C4)NC=C5
• IUPAC Name: 5-[6-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridazin-3-yl]-1H-indole
• InChIKey: LUKNJAQKVPBDSC-SFHVURJKSA-N
• INCHI: 1S/C19H20N4O/c1-2-16-15(5-8-20-16)11-14(1)17-3-4-19(22-21-17)24-18-12-23-9-6-13(18)7-10-23/h1-5,8,11,13,18,20H,6-7,9-10,12H2/t18-/m0/s1
• SMILES isoméricas: C1CN2CCC1[C@H](C2)OC3=NN=C(C=C3)C4=CC5=C(C=C4)NC=C5
• CAS alternativo: 855291-54-2
• PubChem CID: 11151363
• Termos de entrada MeSH: 5-(6-(1-azabicyclo(2,2,2)oct-3-yloxy)pyridazin-3-yl)-1H-indole;ABT 107;ABT-107;ABT107
• Peso molecular: 320.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Quinuclidines Alkyl aryl ethers Pyridazines and derivatives Piperidines Benzenoids Pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Quinuclidine - Alkyl aryl ether - Piperidine - Pyridazine - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Alvos associados (humanos)

CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (4 Activities)

Discover Target: CHRNA7

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

HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)

Discover Target: HTR3A

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

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (312.12 mM; Need ultrasonic)
• Peso molecular: 320.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 320.164 Da
• Monoisotopic Mass: 320.164 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 439.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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