Ispronicline - ≥98% , Neuronal acetylcholine receptor; alpha4/beta2 partial agonist, CAS No.252870-53-4, Neuronal acetylcholine receptor; alpha4/beta2 partial agonist

CAS: 252870-53-4 Cat. No.: I651813 Fórmula: C₁₄H₂₂N₂O Peso molecular: 234.34 PubChem CID: 9824145

GRADE & PURITY ≥98%

Synonyms

RPCVIAXDAUMJJP-PZBABLGHSA-N | (2S,4E)-N-Methyl-5-[5-(1-methylethoxy)pyridin-3-yl]pent-4-en-2-amine | N-Benzyloxycarbonyl-DL-3-phenylalanine | MS-23356 | Timogen | UNII-3E05NBH9V5 | 3E05NBH9V5 | (E,2S)-N-methyl-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-a

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Ispronicline (TC-1734), an orally active, brain-selective α4β2 nicotine acetylcholine receptor ( nAChR ) partial agonist, has shown memory-enhancing properties in rodents and a good tolerability profile. Ispronicline binds to the α4β2 nAChR with high affinity ( K i =11 nM) and is highly selective to other nAChRs such as α7 nAChR and α3β4 nAChR.

In Vivo

Ispronicline (10-20 mg/kg; s.c.) induces c-Fos expression in selective regions of the rat forebrain .\nIspronicline pharmacokinetics (half-life of 2 h in rats) contrasts with the long-lasting improvement of working memory (18 h to 2 d). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Wistar rats weighting 180-200 g Dosage: 10 and 30 mg/kg Administration: s.c. Result: Induced c-Fos in medial paraventricular nucleus of hypothalamus. Treatment with 30 mg/kg ispronicline, but not 10 mg/kg, increased the number of c-Fos immunoreactive cells significantly as compared to controls within the medial parvocellular part of paraventricular nucleus (PVN).

Form:Liquid

Specifications

Sinónimos

RPCVIAXDAUMJJP-PZBABLGHSA-N | (2S,4E)-N-Methyl-5-[5-(1-methylethoxy)pyridin-3-yl]pent-4-en-2-amine | N-Benzyloxycarbonyl-DL-3-phenylalanine | MS-23356 | Timogen | UNII-3E05NBH9V5 | 3E05NBH9V5 | (E,2S)-N-methyl-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-a

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Ispronicline (TC-1734), an orally active, brain-selective α4β2 nicotine acetylcholine receptor ( nAChR ) partial agonist, has shown memory-enhancing properties in rodents and a good tolerability profile. Ispronicline binds to the α4β2 nAChR with high affi

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

PARTIAL AGONIST

Mecanismo de ação

Neuronal acetylcholine receptor; alpha4/beta2 partial agonist

Pureza

≥98%

Propriedades do produto

• ALogP: 2.5

Nomes e identificadores

• Sorrisos canónicos: CC(C)OC1=CN=CC(=C1)C=CCC(C)NC
• IUPAC Name: (E,2S)-N-methyl-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-amine
• InChIKey: RPCVIAXDAUMJJP-PZBABLGHSA-N
• INCHI: 1S/C14H22N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7-12,15H,6H2,1-4H3/b7-5+/t12-/m0/s1
• SMILES isoméricas: C[C@@H](C/C=C/C1=CC(=CN=C1)OC(C)C)NC
• CAS alternativo: 252870-53-4
• PubChem CID: 9824145
• Termos de entrada MeSH: (S)-(E)-N-methyl-5-(3-(5-isopropoxypyridinyl))-4-penten-2-amine;AZD3480;ispronicline;N-methyl-5-(3-(5-isopropoxypyridinyl))-4-penten-2-amine;TC 1734;TC-1734;TC1734
• Peso molecular: 234.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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 protein alpha-7 subunit (3524 Activities)

Discover Target: CHRNA7

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

U2OS (164939 Activities)

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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

HEK-293T (167025 Activities)

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Alvos associados (não humanos)

Mus musculus (284745 Activities)

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

Chrna3 Neuronal acetylcholine receptor; alpha3/beta2 (421 Activities)

Discover Target: Chrna3

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

Chrna2 Neuronal acetylcholine receptor; alpha2/beta4 (223 Activities)

Discover Target: Chrna2

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

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (426.73 mM; Need ultrasonic)
• Peso molecular: 234.340 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 234.173 Da
• Monoisotopic Mass: 234.173 Da
• Topological Polar Surface Area: 34.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 228.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

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.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 252870-53-4, the molecular formula is C14H22N2O, and the molecular weight is 234.34 g/mol. InChIKey RPCVIAXDAUMJJP-PZBABLGHSA-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.