ML266 - ≥98% , CAS No.1462267-08-8

CAS: 1462267-08-8 Cat. No.: M412969 Summenformel: C₂₄H₂₂BrN₃O₄ Molekulargewicht: 496.4

QUALITÄT & REINHEIT ≥98%

Synonyms

CID-46943215

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

ML266 (CID-46943215) is a activator of glucocerebrosidase (GCase) that does not inhibit the enzyme’s action but can still facilitates its translocation to the lysosome.

Spezifikationen

Synonyme

CID-46943215

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

ML266 (CID-46943215) is a activator of glucocerebrosidase (GCase) that does not inhibit the enzyme’s action but can still facilitates its translocation to the lysosome.ML266 has the potential for the research of gaucher disease

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

ACTIVATOR

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488201412

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201412

Kanonisches Lächeln

CN(C1=CC=CC=C1)C(=O)CNC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)Br

IUPAC Name

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide

InChIKey

VAPWBKACLHRZBZ-UHFFFAOYSA-N

INCHI

1S/C24H22BrN3O4/c1-28(19-7-3-2-4-8-19)23(30)15-26-24(31)20-9-5-6-10-21(20)32-16-22(29)27-18-13-11-17(25)12-14-18/h2-14H,15-16H2,1H3,(H,26,31)(H,27,29)

Isomere SMILES

CN(C1=CC=CC=C1)C(=O)CNC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)Br

Molekulargewicht

496.4

Reaxy-Rn

23987798

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23987798&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Benzamides
          • Ebene6 Hippuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: Hippuric acids and derivatives
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Anilides Benzoyl derivatives N-arylamides Phenol ethers Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Tertiary carboxylic acid amides Secondary carboxylic acid amides Tertiary amines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Anilide - Phenoxy compound - Benzoyl - Phenol ether - N-arylamide - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
• 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: 496.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 495.079 Da
• Monoisotopic Mass: 495.079 Da
• Topological Polar Surface Area: 87.700 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 633.000
• 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