WAY-639872 - 10mM in DMSO , CAS No.796119-18-1

CAS: 796119-18-1 Cat. No.: W426047 Summenformel: C₂₁H₂₁N₃O₃ Molekulargewicht: 363.41 PubChem CID: 4879545

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

NaV1.7 inhibitor

Specifications

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Produkteigenschaften

ALogP

2.486

HBD-Zahl

1

Rotationsfähige Bindung

5

Namen und Kennungen

Pubchem Sid

528768327

Kanonisches Lächeln

C1COCCN1C2=CC=CC=C2NC(=O)COC3=CC=CC4=C3N=CC=C4

IUPAC Name

N-(2-morpholin-4-ylphenyl)-2-quinolin-8-yloxyacetamide

InChIKey

ZJRDHGFMVANNGO-UHFFFAOYSA-N

INCHI

1S/C21H21N3O3/c25-20(15-27-19-9-3-5-16-6-4-10-22-21(16)19)23-17-7-1-2-8-18(17)24-11-13-26-14-12-24/h1-10H,11-15H2,(H,23,25)

Isomere SMILES

C1COCCN1C2=CC=CC=C2NC(=O)COC3=CC=CC4=C3N=CC=C4

PubChem CID

4879545

Molekulargewicht

363.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Quinolines and derivatives 2'-Aminoanilides Phenol ethers N-arylamides Dialkylarylamines Aniline and substituted anilines Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylmorpholine - 2'-aminoanilide - Quinoline - Anilide - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - N-arylamide - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Pyridine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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

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SCN5A Tclin Sodium channel protein type 5 subunit alpha (1 Activities)

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

SCN9A Tclin Sodium channel protein type 9 subunit alpha (2 Activities)

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

SCN5A Tclin Sodium channel protein type V alpha subunit (3462 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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Liver (3974 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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Scn9a Sodium channel protein type IX alpha subunit (69 Activities)

Discover Target: Scn9a

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

Plasmodium falciparum (966862 Activities)

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Plasma (328 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 363.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 363.158 Da
• Monoisotopic Mass: 363.158 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 483.000
• 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