dilmapimod - Moligand™, ≥98% , MAP kinase p38 alpha inhibitor, CAS No.444606-18-2, MAP kinase p38 alpha inhibitor

CAS: 444606-18-2 Cat. No.: D609895 Peso molecular: 456.4 PubChem CID: 10297982

GRADE & PURITY Moligand™, ≥98%

Synonyms

8-(2,6-difluorophenyl)-2-((1,3-dihydroxypropan-2-yl)amino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7(8H)-one | SB-681323 | GW 681323

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

8-(2, 6-difluorophenyl)-2-((1, 3-dihydroxypropan-2-yl)amino)-4-(4-fluoro-2-methylphenyl)pyrido[2, 3-d]pyrimidin-7(8H)-one | SB-681323 | GW 681323

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

MAP kinase p38 alpha inhibitor

Pureza

≥98%

Propiedades del producto

• ALogP: 3

Nombres e identificadores

• Pubchem Sid: 528771673
• Sonrisas canónicas: CC1=C(C=CC(=C1)F)C2=C3C=CC(=O)N(C3=NC(=N2)NC(CO)CO)C4=C(C=CC=C4F)F
• IUPAC Name: 8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
• InChIKey: ORVNHOYNEHYKJG-UHFFFAOYSA-N
• INCHI: 1S/C23H19F3N4O3/c1-12-9-13(24)5-6-15(12)20-16-7-8-19(33)30(21-17(25)3-2-4-18(21)26)22(16)29-23(28-20)27-14(10-31)11-32/h2-9,14,31-32H,10-11H2,1H3,(H,27,28,29)
• Isómeros SMILES: CC1=C(C=CC(=C1)F)C2=C3C=CC(=O)N(C3=NC(=N2)NC(CO)CO)C4=C(C=CC=C4F)F
• PubChem CID: 10297982
• Peso molecular: 456.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: Pyrido[2,3-d]pyrimidines Toluenes Pyridinones Fluorobenzenes Aminopyrimidines and derivatives Aryl fluorides Heteroaromatic compounds Lactams Azacyclic compounds Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylpyrimidine - Pyridopyrimidine - Pyrido[2,3-d]pyrimidine - Aminopyrimidine - Fluorobenzene - Halobenzene - Pyridinone - Toluene - Aryl fluoride - Pyridine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactam - Azacycle - Organic oxide - Organofluoride - Organohalogen compound - Organonitrogen compound - Alcohol - Amine - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Objetivos asociados (humanos)

MAPK14 Tchem Mitogen-activated protein kinase 14 (1 Activities)

Discover Target: MAPK14

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

Propiedades químicas y físicas

• Peso molecular: 456.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 456.141 Da
• Monoisotopic Mass: 456.141 Da
• Topological Polar Surface Area: 98.600 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 702.000
• 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