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 Summenformel: C₂₀H₂₀ClN₅O₂ Molekulargewicht: 397.87 PubChem CID: 9865587

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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-(

Spezifikationen & Reinheit

≥96%

Biochemische und physiologische Mechanismen

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).

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Mechanismus der Wirkung

MAP kinase p38 alpha inhibitor

Reinheit

≥96%

Produkteigenschaften

ALogP

1.9

Namen und Kennungen

Pubchem Sid

488196375

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196375

Kanonisches Lächeln

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)

Isomere SMILES

C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)CO

PubChem CID

9865587

Molekulargewicht

397.87

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK11 Tchem MAP kinase p38 beta (2785 Activities)

Discover Target: MAPK11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)

Discover Target: MAPK14

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver microsomes (16955 Activities)

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Zugehörige Ziele (nicht menschlich)

Canis familiaris (36305 Activities)

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Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO
• Molekulargewicht: 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