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

CAS: 200134-22-1 Cat. No.: I422435 Formula: C₁₅H₁₆N₂O Peso molecolare: 240.3 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

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.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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

Tipo di azione

INHIBITOR

Proprietà del prodotto

• ALogP: 3.465
• hba_count: 1
• Conteggio HBD: 2
• Legame rotabile: 3

Nomi e identificatori

• Pubchem Sid: 528764895
• Sorrisi canonici: 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)
• Isomeri SMILES: CCC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• DMSO (mg/mL) Solubilità massima: 48
• DMSO (mM) Solubilità massima: 199.750312109863
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 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