PugNAc - ≥95% , CAS No.132489-69-1

CAS: 132489-69-1 Cat. No.: P275897 Fórmula: C₁₅H₁₉N₃O₇ Peso molecular: 353.33

GRADE & PURITY ≥95%

Synonyms

a hexosaminidase A and B inhibitor | D-Gluconimidic acid, 2-(acetylamino)-2-deoxy-N-(((phenylamino)carbonyl)oxy)-, delta-lactone, (1Z)- | D-Gluconimidic acid, 2-(acetylamino)-2-deoxy-N-[[(phenylamino)carbonyl]oxy]-, delta-lactone, (1Z)- | 2vvs | 2cbj | 4a

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Store at -20°C. Store In the Dark. This product is air and light sensitive and impurities can occur as a result of air oxidation or due to metabolism by microbes.

Specifications

Sinónimos

a hexosaminidase A and B inhibitor | D-Gluconimidic acid, 2-(acetylamino)-2-deoxy-N-(((phenylamino)carbonyl)oxy)-, delta-lactone, (1Z)- | D-Gluconimidic acid, 2-(acetylamino)-2-deoxy-N-[[(phenylamino)carbonyl]oxy]-, delta-lactone, (1Z)- | 2vvs | 2cbj | 4a

Especificações e pureza

≥95%

Mecanismos bioquímicos e fisiológicos

Potent O-GlcNAcase, hexosaminidase A and B inhibitor (IC 50 values are 6, 25, 35 and 46 nM for β-hexosaminidase, HeX A/B, hOGA and OGA respectively). Decreases GLUT4 translocation and insulin-stimulated 2-deoxyglucose uptake in adipocytes.

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504764833

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764833

Sorrisos canónicos

CC(=O)NC1C(C(C(OC1=NOC(=O)NC2=CC=CC=C2)CO)O)O

IUPAC Name

[(Z)-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate

InChIKey

PBLNJFVQMUMOJY-JXZOILRNSA-N

INCHI

1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12-,13-/m1/s1

SMILES isoméricas

CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)NC2=CC=CC=C2)CO)O)O

Peso molecular

353.33

Reaxy-Rn

25732807

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25732807&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Monosaccharides
• Alternative Parents: Oxanes Benzene and substituted derivatives Acetamides Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Acetamide - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Primary alcohol - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as monosaccharides. These are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.
• 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

Alvos associados (humanos)

OGA Tchem Protein O-GlcNAcase (1 Activities)

Discover Target: OGA

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

NAGPA Tbio N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (10 Activities)

Discover Target: NAGPA

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

OGA Tchem Bifunctional protein NCOAT (460 Activities)

Discover Target: OGA

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

Alvos associados (não humanos)

nagZ Beta-hexosaminidase (11 Activities)

Discover Target: nagZ

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly), Water (Slightly)
• Sensibilidade: Air & Light & Heat & Moisture sensitive
• Peso molecular: 353.330 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 353.122 Da
• Monoisotopic Mass: 353.122 Da
• Topological Polar Surface Area: 150.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 507.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1