Linopirdine - ≥98%(HPLC) , CAS No.105431-72-9

CAS: 105431-72-9 Cat. No.: L464966 Formule: C₂₆H₂₁N₃O Poids moléculaire: 391.46

GRADE & PURITY ≥98%(HPLC)

Synonyms

3,3-bis(4-pyridylmethyl)-1-phenylindolin-2-one | 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one | NCGC00261417-01 | CAS-105431-72-9 | HMS2233C05 | Linopirdine, >=98% (HPLC) | NCGC00015590-07 | EU-0100732 | Linopirdine (USAN/INN) | UNII-I5TB3NZ94T | W1232

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

3,3-bis(4-pyridylmethyl)-1-phenylindolin-2-one | 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one | NCGC00261417-01 | CAS-105431-72-9 | HMS2233C05 | Linopirdine, >=98% (HPLC) | NCGC00015590-07 | EU-0100732 | Linopirdine (USAN/INN) | UNII-I5TB3NZ94T | W1232

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Stimulates release of acetylcholine and other neurotransmitters; cognitive enhancer.

Informations juridiques

Sold under exclusive license from DuPont.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 488179807
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179807
• Sourires canoniques: C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5
• IUPAC Name: 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
• InChIKey: YEJCDKJIEMIWRQ-UHFFFAOYSA-N
• INCHI: 1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
• Isomères SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5
• Poids moléculaire: 391.46
• Reaxy-Rn: 6157545
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6157545&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Pyridines and derivatives Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Monocyclic benzene moiety - Pyridine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
• External Descriptors: indoles

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

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CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)

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

CYP3A4 Tclin Cytochrome P450 3A4 (1 Activities)

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

KCNQ4 Tclin Potassium voltage-gated channel subfamily KQT member 4 (0 Activities)

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

KCNQ5 Tclin Potassium voltage-gated channel subfamily KQT member 5 (0 Activities)

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KCNQ2 Tclin Potassium voltage-gated channel subfamily KQT member 2 (0 Activities)

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KCNQ1 Tclin Potassium voltage-gated channel subfamily KQT member 1 (0 Activities)

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KCNQ3 Tclin Potassium voltage-gated channel subfamily KQT member 3 (0 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMF: 30 mg/mL；DMSO: 25 mg/mL；Ethanol: 30 mg/mL；Ethanol:PBS (pH 7.2) (1:30): 0.03 mg/mL；Soluble in H2O
• Poids moléculaire: 391.500 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 391.168 Da
• Monoisotopic Mass: 391.168 Da
• Topological Polar Surface Area: 46.100 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 555.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 105431-72-9, the molecular formula is C26H21N3O, and the molecular weight is 391.46 g/mol. InChIKey YEJCDKJIEMIWRQ-UHFFFAOYSA-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.