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SD 0006

CAT: 0804-HY-11087-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-11087-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SD 0006 (SD-06) is an orally active, selective, ATP-competitive and potent diaryl pyrazole inhibitor of p38α MAP kinase, with an IC50 of 110 nM for p38α[1][2].
CAS Number
271576-80-8
Product Name Alternative
SD-06
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Autophagy; p38 MAPK
Type
Reference compound
Related Pathways
Autophagy; MAPK/ERK Pathway
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/SD-06.html
Concentration
10mM
Purity
98.22
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
OCC(N1CCC(CC1)C2=NNC(C3=CC=C(C=C3)Cl)=C2C4=NC=NC=C4)=O
Molecular Formula
C20H20ClN5O2
Molecular Weight
397.86
Precautions
H302, H315, H319, H335
References & Citations
[1]Burnette BL, et al. SD0006: a potent, selective and orally available inhibitor of p38 kinase. Pharmacology. 2009;84 (1) :42-60.|[2]Walker JK, et al. Identification of SD-0006, a potent diaryl pyrazole inhibitor of p38 MAP kinase. Bioorg Med Chem Lett. 2010 Apr 15;20 (8) :2634-8.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Sd-0006

SD-06 is a member of the class of pyrazoles that is 1H-pyrazole in which the hydrogens at positions 3, 4, and 5 are replaced by N-(hydroxyacetyl)piperidin-4-yl, pyrimidin-4-yl and p-chlorophenyl groups, respectively. It is a primary alcohol, a member of pyrazoles, a member of pyrimidines, a N-acylpiperidine and a member of monochlorobenzenes.

CAS Number271576-80-8
PubChem CID9865587
IUPAC Name1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
Molecular FormulaC20H20ClN5O2
Molecular Weight397.9
XLogP1.9
Topological Polar Surface Area95
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity523
SMILES
C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)CO
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
Chemical Structure
2D Structure
2D structure of Sd-0006
CAS: 271576-80-8
CID: 9865587
Formula: C20H20ClN5O2
MW: 397.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.9
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass397.1305526
Monoisotopic Mass397.1305526
Topological Polar Surface Area95 Ų
Heavy Atom Count28
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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