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

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

GRADE & PURITY ≥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

Specifications

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

Especificações e pureza

≥97%

Mecanismos bioquímicos e 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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488197634
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197634
• Sorrisos canónicos: 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+
• SMILES isoméricas: 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
    • Classe Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: 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