LX-2343 - 10mM in DMSO , CAS No.333745-53-2

CAS: 333745-53-2 Cat. No.: L423435 Summenformel: C₂₂H₁₉ClN₂O₆S Molekulargewicht: 474.91

GRADE & PURITY 10mM in DMSO

Synonyms

N-(benzo[d][1,3]dioxol-5-yl)-2-(N-(5-chloro-2-methoxyphenyl)phenylsulfonamido)acetamide;2-[N-(Benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Shipped at Room Temperature. Store at -20°C long term.

Specifications

Synonyme

N-(benzo[d][1,3]dioxol-5-yl)-2-(N-(5-chloro-2-methoxyphenyl)phenylsulfonamido)acetamide;2-[N-(Benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

BACE1 enzyme inhibitor (IC 50 = 11.43±0.36 μM). Inhibits Abeta production in cell models. Promotes Abeta clearance via autophagy in cellular models. Non-ATP competitive PI3K inhibitor. Reduces cognitive defects in animal models

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Aktionsart

INHIBITOR

Namen und Kennungen

• Pubchem Sid: 528765315
• Kanonisches Lächeln: COC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4
• IUPAC Name: 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
• InChIKey: ZGYSGIYKAVUVOR-UHFFFAOYSA-N
• INCHI: 1S/C22H19ClN2O6S/c1-29-19-9-7-15(23)11-18(19)25(32(27,28)17-5-3-2-4-6-17)13-22(26)24-16-8-10-20-21(12-16)31-14-30-20/h2-12H,13-14H2,1H3,(H,24,26)
• Isomere SMILES: COC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4
• Molekulargewicht: 474.91
• Reaxy-Rn: 30054581
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30054581&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Benzenesulfonamides Alpha amino acids and derivatives Benzenesulfonyl compounds Benzodioxoles Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes N-arylamides Chlorobenzenes Alkyl aryl ethers Organosulfonamides Aryl chlorides Aminosulfonyl compounds Secondary carboxylic acid amides Oxacyclic compounds Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzenesulfonamide - Sulfanilide - Benzodioxole - Methoxyaniline - Benzenesulfonyl group - Anisole - Phenoxy compound - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Organosulfonic acid amide - Aryl chloride - Aryl halide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 474.900 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 474.065 Da
• Monoisotopic Mass: 474.065 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 741.000
• 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