INH14 - 10mM in DMSO , CAS No.200134-22-1

CAS: 200134-22-1 Cat. No.: I422435 Formule: C₁₅H₁₆N₂O Poids moléculaire: 240.3 Numéro CE: 118-881-6

GRADE & PURITY 10mM in DMSO

Synonyms

Urea,N-​(4-​ethylphenyl)​-​N'-​phenyl-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

INH14 is an inhibitor of TLR2-mediatedNF-kBactivation with IC50 values of 8.975 μM and 3.598 μM for IKKα and IKKβ, respectively.

Targets

NF-κB ; IKKβ ; IKKα ; 3.598 μM; 8.975 μM

Specifications

Synonymes

Urea,N-​(4-​ethylphenyl)​-​N'-​phenyl-

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

INH14 is an inhibitor of TLR2-mediated NF-kB activation with IC50 values of 8.975 μM and 3.598 μM for IKKα and IKKβ, respectively.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Type d'action

INHIBITOR

Propriétés du produit

• ALogP: 3.465
• hba_count: 1
• Nombre de HBD: 2
• Liaison rotative: 3

Noms et identifiants

• Pubchem Sid: 528764895
• Sourires canoniques: CCC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2
• IUPAC Name: 1-(4-ethylphenyl)-3-phenylurea
• InChIKey: CPCZNJSFVOOZOG-UHFFFAOYSA-N
• INCHI: 1S/C15H16N2O/c1-2-12-8-10-14(11-9-12)17-15(18)16-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,16,17,18)
• Isomères SMILES: CCC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2
• Poids moléculaire: 240.3
• Reaxy-Rn: 11436621
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11436621&ln=

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: Ureas Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Urea - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• DMSO (mg/mL) Solubilité maximale: 48
• DMSO (mM) Solubilité maximale: 199.750312109863
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 240.300 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 240.126 Da
• Monoisotopic Mass: 240.126 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 253.000
• 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: 1