TRC 051384 - ≥97% , CAS No.867164-40-7

CAS: 867164-40-7 Cat. No.: T288893 Fórmula: C₂₅H₃₁N₅O₄ Peso molecular: 465.54 PubChem CID: 11634093

CALIDAD & PUREZA ≥97%

Synonyms

N-[2-(4-Morpholinyl)ethyl]-N'-[4-[3-[6-(4-morpholinyl)-2-pyridinyl]-1-oxo-2-propen-1-yl]phenyl]urea | (Z)-N'-(2-morpholinoethyl)-N-(4-((E)-3-(6-morpholinopyridin-2-yl)acryloyl)phenyl)carbamimidic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificaciones

Sinónimos

N-[2-(4-Morpholinyl)ethyl]-N'-[4-[3-[6-(4-morpholinyl)-2-pyridinyl]-1-oxo-2-propen-1-yl]phenyl]urea | (Z)-N'-(2-morpholinoethyl)-N-(4-((E)-3-(6-morpholinopyridin-2-yl)acryloyl)phenyl)carbamimidic acid

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

Inducer of heat shock protein Hsp70; reduces stroke-associated neuronal injury and increases survival in a rat model of transient ischemic stroke. Activates heat shock factor-1 and results in elevated chaperone and anti-inflammatory activity. Enhances Hsp

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.

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488197634

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197634

Sonrisas canónicas

C1COCCN1CCNC(=O)NC2=CC=C(C=C2)C(=O)C=CC3=NC(=CC=C3)N4CCOCC4

IUPAC Name

1-(2-morpholin-4-ylethyl)-3-[4-[(E)-3-(6-morpholin-4-ylpyridin-2-yl)prop-2-enoyl]phenyl]urea

InChIKey

SQTSPANZQDCPLB-CMDGGOBGSA-N

INCHI

1S/C25H31N5O4/c31-23(9-8-21-2-1-3-24(27-21)30-14-18-34-19-15-30)20-4-6-22(7-5-20)28-25(32)26-10-11-29-12-16-33-17-13-29/h1-9H,10-19H2,(H2,26,28,32)/b9-8+

Isómeros SMILES

C1COCCN1CCNC(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=NC(=CC=C3)N4CCOCC4

PubChem CID

11634093

Peso molecular

465.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Aryl ketones Benzoyl derivatives Dialkylarylamines Aminopyridines and derivatives Morpholines Imidolactams Acryloyl compounds Enones Heteroaromatic compounds Ureas Trialkylamines Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-phenylurea - Benzoyl - Aryl ketone - Dialkylarylamine - Aminopyridine - Morpholine - Oxazinane - Pyridine - Imidolactam - Acryloyl-group - Enone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Tertiary aliphatic amine - Tertiary amine - Urea - Ketone - Oxacycle - Organoheterocyclic compound - Azacycle - Dialkyl ether - Ether - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea 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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 53.85, Max Conc. mM: 100
• Peso molecular: 465.500 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 465.238 Da
• Monoisotopic Mass: 465.238 Da
• Topological Polar Surface Area: 96.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 670.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 867164-40-7, the molecular formula is C25H31N5O4, and the molecular weight is 465.54 g/mol. InChIKey SQTSPANZQDCPLB-CMDGGOBGSA-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.