K-7174 - ≥97% , CAS No.191089-59-5

CAS: 191089-59-5 Cat. No.: K413597 Formula: C₃₃H₄₈N₂O₆ Peso molecolare: 568.74

QUALITÀ & PUREZZA ≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

K-7174 is an inhibitor of cell adhesion that inhibits the expression of vascular cell adhesion molecule-1 (VCAM-1) induced by either IL-1β or TNF-α.

Specifiche

Specifiche e purezza

≥97%

Meccanismi biochimici e fisiologici

K-7174 is an inhibitor of cell adhesion that inhibits the expression of vascular cell adhesion molecule-1 (VCAM-1) induced by either IL-1β or TNF-α.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

528765027

Sorrisi canonici

COC1=CC(=CC(=C1OC)OC)C=CCCCN2CCCN(CC2)CCCC=CC3=CC(=C(C(=C3)OC)OC)OC

IUPAC Name

1,4-bis[(E)-5-(3,4,5-trimethoxyphenyl)pent-4-enyl]-1,4-diazepane

InChIKey

JXXCDAKRSXICGM-AOEKMSOUSA-N

INCHI

1S/C33H48N2O6/c1-36-28-22-26(23-29(37-2)32(28)40-5)14-9-7-11-16-34-18-13-19-35(21-20-34)17-12-8-10-15-27-24-30(38-3)33(41-6)31(25-27)39-4/h9-10,14-15,22-25H,7-8,11-13,16-21H2,1-6H3/b14-9+,15-10+

Isomeri SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/CCCN2CCN(CCC2)CCC/C=C/C3=CC(=C(C(=C3)OC)OC)OC

CAS alternativo

191089-60-8

Peso molecolare

568.74

Reaxy-Rn

32249856

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32249856&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers 1,4-diazepanes Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Styrene - 1,4-diazepane - Alkyl aryl ether - Diazepane - Monocyclic benzene moiety - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 568.700 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 16
• Exact Mass: 568.351 Da
• Monoisotopic Mass: 568.351 Da
• Topological Polar Surface Area: 61.900 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 663.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1