SD-06 - ≥96% , MAP kinase p38 alpha inhibitor, CAS No.271576-80-8, MAP kinase p38 alpha inhibitor

CAS: 271576-80-8 Cat. No.: S125094 Formule: C₂₀H₂₀ClN₅O₂ Poids moléculaire: 397.87 PubChem CID: 9865587

GRADE & PURITY ≥96%

Synonyms

Ethanone, 1-(4-(5-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-3-yl)-1-piperidinyl)-2-hydroxy- | HY-11087 | J-503197 | 1-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)-2-hydroxyethanone | n-(2-hydroxyacetyl)-5-(4-piperidyl)-4-(

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

Ethanone, 1-(4-(5-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-3-yl)-1-piperidinyl)-2-hydroxy- | HY-11087 | J-503197 | 1-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)-2-hydroxyethanone | n-(2-hydroxyacetyl)-5-(4-piperidyl)-4-(

Spécifications et pureté

≥96%

Mécanismes biochimiques et physiologiques

SD-06 is a p38 MAP kinase inhibitor. SD-06 inhibits p38α with an IC50 value of 170nM and inhibits LPS-stimulated TNF-release in rats (83% inhibition at 1mg/kg, po).

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Type d'action

INHIBITOR

Mécanisme d'action

MAP kinase p38 alpha inhibitor

Pureté

≥96%

Propriétés du produit

• ALogP: 1.9

Noms et identifiants

• Pubchem Sid: 488196375
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196375
• Sourires canoniques: C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)CO
• IUPAC Name: 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
• InChIKey: CATQHDWESBRRQA-UHFFFAOYSA-N
• INCHI: 1S/C20H20ClN5O2/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27/h1-5,8,12,14,27H,6-7,9-11H2,(H,24,25)
• Isomères SMILES: C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)CO
• PubChem CID: 9865587
• Poids moléculaire: 397.87

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: N-acylpiperidines Chlorobenzenes Pyrimidines and pyrimidine derivatives Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - N-acyl-piperidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Piperidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Primary alcohol - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• External Descriptors: pyrazoles - N-acylpiperidine - pyrimidines - primary alcohol - monochlorobenzenes

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO
• Poids moléculaire: 397.900 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 397.131 Da
• Monoisotopic Mass: 397.131 Da
• Topological Polar Surface Area: 95.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 523.000
• 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