WAY-640666 - ≥98% , CAS No.796082-31-0

CAS: 796082-31-0 Cat. No.: W417848 Summenformel: C₂₃H₂₆F₃N₃O₄S Molekulargewicht: 497.53 PubChem CID: 4878754

QUALITÄT & REINHEIT ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

altering the lifespan of a eukaryotic organism; modulators of advanced glycosylation end product receptor (RAGE) activity;

Spezifikationen

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Produkteigenschaften

ALogP

2.996

HBD-Zahl

1

Rotationsfähige Bindung

6

Namen und Kennungen

Pubchem Sid

488195016

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195016

Kanonisches Lächeln

C1CN(CCC1C(=O)NC2=CC=CC=C2N3CCOCC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

IUPAC Name

N-(2-morpholin-4-ylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

InChIKey

BAAKEVMQAQOBRI-UHFFFAOYSA-N

INCHI

1S/C23H26F3N3O4S/c24-23(25,26)18-4-3-5-19(16-18)34(31,32)29-10-8-17(9-11-29)22(30)27-20-6-1-2-7-21(20)28-12-14-33-15-13-28/h1-7,16-17H,8-15H2,(H,27,30)

Isomere SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2N3CCOCC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

PubChem CID

4878754

Molekulargewicht

497.53

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: Trifluoromethylbenzenes 2'-Aminoanilides Benzenesulfonamides Piperidinecarboxamides Benzenesulfonyl compounds Aniline and substituted anilines N-arylamides Dialkylarylamines Organosulfonamides Sulfonyls Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Alkyl fluorides Organic oxides Hydrocarbon derivatives Organofluorides Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Benzenesulfonamide - Trifluoromethylbenzene - 2'-aminoanilide - Anilide - Benzenesulfonyl group - Piperidinecarboxamide - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Organosulfonic acid amide - Benzenoid - Monocyclic benzene moiety - Piperidine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alkyl halide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic 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

Zugehörige Ziele (menschlich)

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

Zugehörige Ziele (nicht menschlich)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 497.500 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 497.16 Da
• Monoisotopic Mass: 497.16 Da
• Topological Polar Surface Area: 87.300 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 790.000
• 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