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

CAS: 936339-60-5 Cat. No.: M412419 分子式: C₂₁H₁₈N₄O₂ 分子量: 358.39 EC番号: 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

概要

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

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

• パブケム・シド: 528765595
• カノニカル・スマイル: 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)
• 異性体SMILES: C1=CC=NC(=C1)OCC2=CC=C(C=C2)CC3=NOC(=C3)C4=C(N=CC=C4)N
• 分子量: 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
    • 分類 Pyridines and derivatives
      • Subclass Aminopyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

Aspergillus fumigatus (16427 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 72 mg/mL (200.89 mM); Ethanol: 20 mg/mL (55.8 mM); Water: Insoluble
• 分子量: 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