ML327 - ≥98% , CAS No.1883510-31-3

CAS: 1883510-31-3 Cat. No.: M412178 Summenformel: C₁₉H₁₈N₄O₄ Molekulargewicht: 366.37 PubChem CID: 60167648

QUALITÄT & REINHEIT ≥98%

Synonyms

CID 60167648 | 1,2-Dihydro-2-oxo-N-[3-[[(5-phenyl-3-isoxazolyl)carbonyl]amino]propyl]-3-pyridinecarboxamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

ML327 ML327 is an isoxazole compound that blocks MYC expression and tumor formation in neuroblastoma. ML327 also restores E-cadherin expression with In-Cell Western EC50 of 1.0 μM. ML327 induces apoptosis .

Targets

MYC ; E-cadherin (Cell-based assay) ; 1.0 μM(EC50)

Spezifikationen

Synonyme

CID 60167648 | 1,2-Dihydro-2-oxo-N-[3-[[(5-phenyl-3-isoxazolyl)carbonyl]amino]propyl]-3-pyridinecarboxamide

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

ML327 is an isoxazole compound that blocks MYC expression and tumor formation in neuroblastoma. ML327 also restores E-cadherin expression with In-Cell Western EC50 of 1.0 μM. ML327 induces apoptosis.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504771796

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771796

Kanonisches Lächeln

C1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCNC(=O)C3=CC=CNC3=O

IUPAC Name

N-[3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide

InChIKey

NNNDNXLMQAPQQQ-UHFFFAOYSA-N

INCHI

1S/C19H18N4O4/c24-17-14(8-4-9-20-17)18(25)21-10-5-11-22-19(26)15-12-16(27-23-15)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H,20,24)(H,21,25)(H,22,26)

Isomere SMILES

C1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCNC(=O)C3=CC=CNC3=O

PubChem CID

60167648

Molekulargewicht

366.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Ebene5 Pyridinecarboxamides
          • Ebene6 Nicotinamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: 2-heteroaryl carboxamides Pyridinones Dihydropyridines Benzene and substituted derivatives Vinylogous amides Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - 2-heteroaryl carboxamide - Pyridinone - Dihydropyridine - Benzenoid - Hydropyridine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Isoxazole - Azole - Secondary carboxylic acid amide - Lactam - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 50 mg/mL (136.47 mM); Water: Insoluble; Ethanol: Insoluble
• Molekulargewicht: 366.400 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 366.133 Da
• Monoisotopic Mass: 366.133 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 625.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1883510-31-3, the molecular formula is C19H18N4O4, and the molecular weight is 366.37 g/mol. InChIKey NNNDNXLMQAPQQQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.