SB 239063 - 10mM in DMSO , CAS No.193551-21-2

CAS: 193551-21-2 Cat. No.: S580509 Formula: C₂₀H₂₁N₄O₂F Peso molecolare: 368.4 PubChem CID: 5166

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

4-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1-imidazolyl]-1-cyclohexanol | 4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol | CCG-268267 | SCHEMBL13933075 | BDBM50105742 | HMS3268O18 | Trans-4-[4-(4-Fluorophenyl)-5-(2-M

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifiche

Sinonimi

4-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1-imidazolyl]-1-cyclohexanol | 4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol | CCG-268267 | SCHEMBL13933075 | BDBM50105742 | HMS3268O18 | Trans-4-[4-(4-Fluorophenyl)-5-(2-M

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Potent and selective p38 MAP kinase inhibitor (IC50= 44 nM for p38α). Displays > 220-fold selectivity over ERK, JNK1 and other kinases; ~ 3-fold more selective thanSB 203580. Reduces inflammatory cytokine production and is neuroprotective following oral a

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.

Nomi e identificatori

Sorrisi canonici

COC1=NC=CC(=N1)C2=C(N=CN2C3CCC(CC3)O)C4=CC=C(C=C4)F

IUPAC Name

4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol

InChIKey

ZQUSFAUAYSEREK-UHFFFAOYSA-N

INCHI

1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3

Isomeri SMILES

COC1=NC=CC(=N1)C2=C(N=CN2C3CCC(CC3)O)C4=CC=C(C=C4)F

WGK Germania

3

PubChem CID

5166

Peso molecolare

368.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Fluorobenzenes Cyclohexanols Alkyl aryl ethers Pyrimidines and pyrimidine derivatives N-substituted imidazoles Aryl fluorides Heteroaromatic compounds Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylimidazole - 5-phenylimidazole - Alkyl aryl ether - Cyclohexanol - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Cyclic alcohol - Secondary alcohol - Ether - Azacycle - Organofluoride - Organonitrogen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole 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

Obiettivi associati (umani)

CSNK1D Tchem Casein kinase I isoform delta (1 Activities)

Discover Target: CSNK1D

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 3.68, Max Conc. mM: 10 with gentle warming
• Sensibilità: Heat sensitive
• Punto di fusione (°C): 207 °C
• Peso molecolare: 368.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 368.165 Da
• Monoisotopic Mass: 368.165 Da
• Topological Polar Surface Area: 73.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 469.000
• 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