Kinesore - ≥98%(HPLC) , CAS No.363571-83-9

CAS: 363571-83-9 Cat. No.: K288474 Formule: C₂₀H₁₆Br₂N₄O₄ Poids moléculaire: 536.17

GRADE & PURITY ≥98%(HPLC)

Synonyms

3,5-Dibromo-N'-((2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl)methylene)-4-hydroxybenzohydrazide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

3,5-Dibromo-N'-((2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl)methylene)-4-hydroxybenzohydrazide

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Kinesin-1 modulator. Inhibits SKIP-KLC2 interaction, but promotes kinesin-1 function in controlling the organization of the microtubule network. Induces remodeling of the microtubule network and the formation of extensive microtubule-rich projections. Cel

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

ACTIVATOR

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

528765085

Sourires canoniques

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C=NNC(=O)C3=CC(=C(C(=C3)Br)O)Br

IUPAC Name

3,5-dibromo-N-[(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]-4-hydroxybenzamide

InChIKey

DUGCMEGLYHBMAR-AUEPDCJTSA-N

INCHI

1S/C20H16Br2N4O4/c1-11-6-14(12(2)25(11)15-4-3-5-16(9-15)26(29)30)10-23-24-20(28)13-7-17(21)19(27)18(22)8-13/h3-10,27H,1-2H3,(H,24,28)/b23-10+

Isomères SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)/C=N/NC(=O)C3=CC(=C(C(=C3)Br)O)Br

Poids moléculaire

536.17

Reaxy-Rn

32158068

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32158068&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrroles
• Alternative Parents: 3-halobenzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds O-bromophenols Bromobenzenes Aryl bromides Heteroaromatic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organic zwitterions Organobromides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic salts
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylpyrrole - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - 2-halophenol - 2-bromophenol - Bromobenzene - Halobenzene - Phenol - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
• 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

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 53.62, Max Conc. mM: 100
• Poids moléculaire: 536.200 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 535.952 Da
• Monoisotopic Mass: 533.954 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 649.000
• 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