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SD-06 - 10mM in DMSO, high purity , CAS No.271576-80-8, MAP kinase p38 alpha inhibitor
Basic Description
Synonyms
SD-06 | 271576-80-8 | SD-0006 | 2-{4-[5-(4-Chlorophenyl)-4-Pyrimidin-4-Yl-1h-Pyrazol-3-Yl]piperidin-1-Yl}-2-Oxoethanol | SD 0006 | SD0006 | C57VF8YO91 | CHEMBL1090173 | CHEBI:82712 | 1-(4-(5-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-3-yl)piperidin-1-yl)-2-hydroxyethan
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
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 Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Mechanism of action
MAP kinase p38 alpha inhibitor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
INCHI
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)
InChIKey
CATQHDWESBRRQA-UHFFFAOYSA-N
Smiles
C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)CO
Isomeric SMILES
C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)CO
PubChem CID
9865587
Molecular Weight
397.87
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
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
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