Ibiglustat (L-Malic acid) - ≥98% , CAS No.1629063-78-0

CAS: 1629063-78-0 Cat. No.: I648887 Peso molecular: 523.57 Número EC: 838-347-2 PubChem CID: 60199241

GRADE & PURITY ≥98%

Synonyms

(2S)-2-HYDROXYBUTANEDIOIC ACID - (3S)-1- AZABICYCLO(2.2.2)OCT-3-YL (2-(2-(4-FLUOROPHENYL)-1,3-THIAZOL-4-YL)PROPAN-2-YL) CARBAMATE | Venglustat L-malate | Venglustat malate (USAN) | SAR-402671 L-MALATE | Venglustat malate | 94855LQZ8D | Genz-682452-AU | Ib

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Ibiglustat (Venglustat) L-Malic acid is an orally active, brain-penetrant glucosylceramide synthase (GCS) inhibitor. Ibiglustat L-Malic acid can be used for the research of Gaucher disease type 3, Parkinson's disease associated with GBA mutations, Fabry disease, GM2 gangliosidosis, and autosomal dominant polycystic kidney disease

In Vitro

Ibiglustat (SAR402671) (1 μM, 15 days) L-Malic acid treated Fabry disease (FD) cells are close to the physiological level in untreated WT cells in GL-3 levels, suggesting that Ibiglustat L-Malic acid can prevent additional GL-3 accumulation and could serve to ameliorate the abundant levels of this sphingolipid in FD cardiomyocytes . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Glucosylceramide synthase

Specifications

Sinónimos

(2S)-2-HYDROXYBUTANEDIOIC ACID - (3S)-1- AZABICYCLO(2.2.2)OCT-3-YL (2-(2-(4-FLUOROPHENYL)-1, 3-THIAZOL-4-YL)PROPAN-2-YL) CARBAMATE | Venglustat L-malate | Venglustat malate (USAN) | SAR-402671 L-MALATE | Venglustat malate | 94855LQZ8D | Genz-682452-AU | Ib

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Ibiglustat (Venglustat) L-Malic acid is an orally active, brain-penetrant glucosylceramide synthase (GCS) inhibitor. Ibiglustat L-Malic acid can be used for the research of Gaucher disease type 3, Parkinson's disease associated with GBA mutations, Fabry d

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C1=CSC(=N1)C2=CC=C(C=C2)F)NC(=O)OC3CN4CCC3CC4.C(C(C(=O)O)O)C(=O)O
• IUPAC Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]carbamate;(2S)-2-hydroxybutanedioic acid
• InChIKey: SQXUKOJKIWCALK-AAXLQGCPSA-N
• INCHI: 1S/C20H24FN3O2S.C4H6O5/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24;5-2(4(8)9)1-3(6)7/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25);2,5H,1H2,(H,6,7)(H,8,9)/t16-;2-/m10/s1
• Isómeros SMILES: CC(C)(C1=CSC(=N1)C2=CC=C(C=C2)F)NC(=O)O[C@@H]3CN4CCC3CC4.C([C@@H](C(=O)O)O)C(=O)O
• CAS alternativo: 1629063-78-0
• PubChem CID: 60199241
• Peso molecular: 523.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinuclidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinuclidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinuclidines
• Alternative Parents: Short-chain hydroxy acids and derivatives Fluorobenzenes Beta hydroxy acids and derivatives 2,4-disubstituted thiazoles Piperidines Fatty acids and conjugates Dicarboxylic acids and derivatives Aryl fluorides Alpha hydroxy acids and derivatives Heteroaromatic compounds Carbamate esters Trialkylamines Secondary alcohols Carboxylic acids Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Quinuclidine - Short-chain hydroxy acid - Halobenzene - Fluorobenzene - Beta-hydroxy acid - 2,4-disubstituted 1,3-thiazole - Fatty acid - Benzenoid - Piperidine - Hydroxy acid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Alpha-hydroxy acid - Heteroaromatic compound - Carbamic acid ester - Thiazole - Azole - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO : ≥ 100 mg/mL (191.00 mM)
• Peso molecular: 523.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 523.179 Da
• Monoisotopic Mass: 523.179 Da
• Topological Polar Surface Area: 178.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 662.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

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