Manogepix (E1210) - ≥98% , CAS No.936339-60-5

CAS: 936339-60-5 Cat. No.: M412419 Fórmula: C₂₁H₁₈N₄O₂ Peso molecular: 358.39 Número EC: 811-768-9

GRADE & PURITY ≥98%

Synonyms

APX001A | APX-001A | E-1210; E 1210; APX001A; APX-001-A; APX 001 A | Q15410951 | SCHEMBL510522 | (3-(3-(4-(((Pyridin-2-yl)oxy)methyl)benzyl)isoxazol-5-yl)pyridin-2-)amine | AKOS040759249 | MS-25637 | AC-1343 | EX-A3405 | 3-[3-[[4-(pyridin-2-yloxymethyl)ph

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Manogepix (E1210) Manogepix (E1210, MGX, APX001A) is a broad-spectrum and orally active antifungal agent that inhibits Gwt1/Gwt1p (GPI-anchored wall transfer protein 1) , a protein that plays an important role in fungal cell wall integrity.

Targets

Gwt1

Specifications

Sinónimos

APX001A | APX-001A | E-1210; E 1210; APX001A; APX-001-A; APX 001 A | Q15410951 | SCHEMBL510522 | (3-(3-(4-(((Pyridin-2-yl)oxy)methyl)benzyl)isoxazol-5-yl)pyridin-2-)amine | AKOS040759249 | MS-25637 | AC-1343 | EX-A3405 | 3-[3-[[4-(pyridin-2-yloxymethyl)ph

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Manogepix (E1210, MGX, APX001A) is a broad-spectrum and orally active antifungal agent that inhibits Gwt1/Gwt1p (GPI-anchored wall transfer protein 1), a protein that plays an important role in fungal cell wall integrity.

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.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 528765595
• Sonrisas canónicas: C1=CC=NC(=C1)OCC2=CC=C(C=C2)CC3=NOC(=C3)C4=C(N=CC=C4)N
• IUPAC Name: 3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
• InChIKey: WSEKTEUGRLFBSE-UHFFFAOYSA-N
• INCHI: 1S/C21H18N4O2/c22-21-18(4-3-11-24-21)19-13-17(25-27-19)12-15-6-8-16(9-7-15)14-26-20-5-1-2-10-23-20/h1-11,13H,12,14H2,(H2,22,24)
• Isómeros SMILES: C1=CC=NC(=C1)OCC2=CC=C(C=C2)CC3=NOC(=C3)C4=C(N=CC=C4)N
• Peso molecular: 358.39
• Reaxy-Rn: 12874932
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12874932&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Aminopyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Alkyl aryl ethers Imidolactams Benzene and substituted derivatives Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Aminopyridine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - Oxacycle - Ether - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
• 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

Objetivos asociados (humanos)

HepG2 (196354 Activities)

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

PIGW Tbio Phosphatidylinositol-glycan biosynthesis class W protein (5 Activities)

Discover Target: PIGW

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

Objetivos asociados (no humanos)

Aspergillus fumigatus (16427 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 72 mg/mL (200.89 mM); Ethanol: 20 mg/mL (55.8 mM); Water: Insoluble
• Peso molecular: 358.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 358.143 Da
• Monoisotopic Mass: 358.143 Da
• Topological Polar Surface Area: 87.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 444.000
• 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