NCGC607 - Moligand™, ≥98% , glucosylceramidase beta, CAS No.1462267-07-7, glucosylceramidase beta

CAS: 1462267-07-7 Cat. No.: N412968 Molecular Weight: 543.35

GRADE & PURITY Moligand™, ≥98%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

NCGC607 is a a noninhibitory chaperone of glucocerebrosidase (GCase).

Specifications

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

NCGC607 is a a noninhibitory chaperone of glucocerebrosidase (GCase).

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

MODULATOR

Mechanism of action

glucosylceramidase beta

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN(C1=CC=CC=C1)C(=O)CNC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)I
• IUPAC Name: 2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide
• InChIKey: HFVDMJQQAKLUSN-UHFFFAOYSA-N
• INCHI: 1S/C24H22IN3O4/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)
• Isomeric SMILES: CN(C1=CC=CC=C1)C(=O)CNC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)I
• Molecular Weight: 543.35
• Reaxy-Rn: 23987818
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23987818&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Hippuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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 Phenoxy compounds Phenol ethers N-arylamides Benzoyl derivatives Iodobenzenes Alkyl aryl ethers N-acyl amines Tertiary carboxylic acid amides Vinyl iodides Iodoalkenes Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Anilide - Phenoxy compound - N-arylamide - Phenol ether - Benzoyl - Iodobenzene - Halobenzene - Alkyl aryl ether - N-acyl-amine - Tertiary carboxylic acid amide - Carboxamide group - Iodoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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

Associated Targets(Human)

GBA Tclin Glucosylceramidase (0 Activities)

Discover Target: GBA

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

Chemical and Physical Properties

• Sensitivity: 对光线敏感
• Molecular Weight: 543.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 543.066 Da
• Monoisotopic Mass: 543.066 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