ML327 - ≥98% , CAS No.1883510-31-3

CAS: 1883510-31-3 Cat. No.: M412178 分子式: C₁₉H₁₈N₄O₄ 分子量: 366.37 PubChem CID: 60167648

グレード＆純度 ≥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

概要

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)

仕様

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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.

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。

純度

≥98%

名前と識別子

パブケム・シド

504771796

パブケム・シド・ウル

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

カノニカル・スマイル

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)

異性体SMILES

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

PubChem CID

60167648

分子量

366.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Level5 Pyridinecarboxamides
          • Level6 Nicotinamides

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

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 50 mg/mL (136.47 mM); Water: Insoluble; Ethanol: Insoluble
• 分子量: 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

よくある質問

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.