TA-02 - 10mM in DMSO , CAS No.1784751-19-4

CAS: 1784751-19-4 Cat. No.: T422173 Fórmula: C₂₀H₁₃F₂N₃ Peso molecular: 333.33 PubChem CID: 91691130

GRADE & PURITY 10mM in DMSO

Synonyms

Pyridine,4-​[2-​(2-​fluorophenyl)​-​4-​(4-​fluorophenyl)​-​1H-​imidazol-​5-​yl]​-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Information

TA-02 TA-02 is a p38 MAPK inhibitor with IC50 of 20 nM. TA-02 especially inhibits TGFBR-2 .

Targets

TGFβRII ; p38 MAPK (Cell-free assay) ; 20 nM

Specifications

Sinónimos

Pyridine,4-​[2-​(2-​fluorophenyl)​-​4-​(4-​fluorophenyl)​-​1H-​imidazol-​5-​yl]​-

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

TA-02 is a p38 MAPK inhibitor with IC50 of 20 nM. TA-02 especially inhibits TGFBR-2.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Propriedades do produto

ALogP

4.659

Contagem HBD

1

Ligação rotativa

3

Nomes e identificadores

Pubchem Sid

528767333

Sorrisos canónicos

C1=CC=C(C(=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)F

IUPAC Name

4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

InChIKey

QIFJOFNVIVQRNJ-UHFFFAOYSA-N

INCHI

1S/C20H13F2N3/c21-15-7-5-13(6-8-15)18-19(14-9-11-23-12-10-14)25-20(24-18)16-3-1-2-4-17(16)22/h1-12H,(H,24,25)

SMILES isoméricas

C1=CC=C(C(=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)F

PubChem CID

91691130

Peso molecular

333.33

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: 2,4,5-trisubstituted imidazoles Fluorobenzenes Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylimidazole - 5-phenylimidazole - 4-phenylimidazole - 2,4,5-trisubstituted-imidazole - Trisubstituted imidazole - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• DMSO (mg/mL) Solubilidade máxima: 67
• DMSO (mM) Solubilidade máxima: 201.0020100201
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 333.300 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 333.108 Da
• Monoisotopic Mass: 333.108 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 421.000
• 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