VU 590 dihydrochloride - ≥97%(HPLC) , CAS No.1783987-83-6

CAS: 1783987-83-6 Cat. No.: V288734 Peso molecular: 561.46 PubChem CID: 71433535

GRADE & PURITY ≥97%(HPLC)

Synonyms

7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane dihydrochloride. | 1783987-83-6 | 7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecanedihydrochloride | AKOS024457853 | 7,13-bis[(4-nitrophenyl)methyl]-1,4,10-tri

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

7, 13-bis[(4-nitrophenyl)methyl]-1, 4, 10-trioxa-7, 13-diazacyclopentadecane dihydrochloride. | 1783987-83-6 | 7, 13-bis[(4-nitrophenyl)methyl]-1, 4, 10-trioxa-7, 13-diazacyclopentadecanedihydrochloride | AKOS024457853 | 7, 13-bis[(4-nitrophenyl)methyl]-1, 4, 10-tri

Especificaciones y pureza

≥97%(HPLC)

Mecanismos bioquímicos y fisiológicos

Inhibits the renal outer medullary potassium channel (Kir1.1, ROMK) (IC50= 294 nM). Also inhibits the inward retifying K+channel Kir7.1; displays no effect upon Kir2.1 or Kir4.1. Acts as an intracellular Kir1.1 channel pore blocker.

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%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1COCCN(CCOCCOCCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-].Cl.Cl
• IUPAC Name: 7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane;dihydrochloride
• InChIKey: FRYYSUBAHIUBNJ-UHFFFAOYSA-N
• INCHI: 1S/C24H32N4O7.2ClH/c29-27(30)23-5-1-21(2-6-23)19-25-9-13-33-14-10-26(12-16-35-18-17-34-15-11-25)20-22-3-7-24(8-4-22)28(31)32;;/h1-8H,9-20H2;2*1H
• Isómeros SMILES: C1COCCN(CCOCCOCCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-].Cl.Cl
• PubChem CID: 71433535
• Peso molecular: 561.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Phenylmethylamines Nitroaromatic compounds Benzylamines Aralkylamines Trialkylamines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitrobenzene - Benzylamine - Nitroaromatic compound - Phenylmethylamine - Aralkylamine - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Dialkyl ether - Ether - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic salt - Organonitrogen compound - Hydrochloride - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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: 56.15, Max Conc. mM: 100
• Peso molecular: 561.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 560.18 Da
• Monoisotopic Mass: 560.18 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 562.000
• 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: 3

XLogP3