Gabapentin enacarbil - Moligand™, ≥97% , Voltage-gated calcium channel modulator, CAS No.478296-72-9, Voltage-gated calcium channel modulator

CAS: 478296-72-9 Cat. No.: G176571 Fórmula: C₁₆H₂₇NO₆ Peso molecular: 329.39 Número EC: 620-082-7

GRADE & PURITY Moligand™, ≥97%

Synonyms

1,2,3 triazolo[4,5-b]pyridine | MFCD09954124 | AKOS005063425 | SCHEMBL25455 | GABAPENTIN ENACARBIL [USAN] | gabapentinum enacarbilum | (1-{[({(1RS)-1-[(2-Methylpropanoyl)oxy]ethoxy}carbonyl)amino]methyl}cyclohexyl)acetic acid | 2-(1-((((1-(Isobutyryloxy)e

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

1,2,3 triazolo[4,5-b]pyridine | MFCD09954124 | AKOS005063425 | SCHEMBL25455 | GABAPENTIN ENACARBIL [USAN] | gabapentinum enacarbilum | (1-{[({(1RS)-1-[(2-Methylpropanoyl)oxy]ethoxy}carbonyl)amino]methyl}cyclohexyl)acetic acid | 2-(1-((((1-(Isobutyryloxy)e

Especificaciones y pureza

Moligand™, ≥97%

Mecanismos bioquímicos y fisiológicos

Gabapentin enacarbil (XP-13512) is a prodrug of Gabapentin (HY-A0057) designed to be absorbed throughout the intestine by high-capacity nutrient transporters. Gabapentin is a potent P/Q type Ca2+ channel blocker. Gabapentin enacarbil can be used for the s

Condiciones de almacenamiento de almacenamiento

Protected from light,Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

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

Grado

Moligand™

Tipo de acción

MODULATOR

Mecanismo de acción

Voltage-gated calcium channel modulator

Pureza

≥97%

Propiedades del producto

• ALogP: 3.1

Nombres e identificadores

• Sonrisas canónicas: CC(C)C(=O)OC(C)OC(=O)NCC1(CCCCC1)CC(=O)O
• IUPAC Name: 2-[1-[[1-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]acetic acid
• InChIKey: TZDUHAJSIBHXDL-UHFFFAOYSA-N
• INCHI: 1S/C16H27NO6/c1-11(2)14(20)22-12(3)23-15(21)17-10-16(9-13(18)19)7-5-4-6-8-16/h11-12H,4-10H2,1-3H3,(H,17,21)(H,18,19)
• Isómeros SMILES: CC(C)C(=O)OC(C)OC(=O)NCC1(CCCCC1)CC(=O)O
• Peso molecular: 329.39
• Reaxy-Rn: 10188772
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10188772&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Gamma amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Gamma amino acids and derivatives
• Alternative Parents: Dicarboxylic acids and derivatives Carbamate esters Organic carbonic acids and derivatives Carboxylic acid esters Carboxylic acids Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Gamma amino acid or derivatives - Dicarboxylic acid or derivatives - Carbamic acid ester - Carboxylic acid ester - Carbonic acid derivative - Acetal - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
• External Descriptors: carbamate ester - monocarboxylic acid - carboxylic ester - acetal

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Cynomolgus monkey (4946 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Peso molecular: 329.390 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 329.184 Da
• Monoisotopic Mass: 329.184 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 428.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1