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SD 0006

CAT: 0931-T7276-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T7276-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
271576-80-8
Target
P38 MAPK, Autophagy
Related Pathways
MAPK, Autophagy
Purity
0.9832
Bioactivity
SD 0006 (SD-06) is a MAPK p38 alpha inhibitor with an IC50 of 110 nM, indicated for the treatment of arthritis.
Smiles
OCC(=O)N1CCC(CC1)c1n[nH]c(c1-c1ccncn1)-c1ccc(Cl)cc1
Molecular Formula
C20H20ClN5O2
Molecular Weight
397.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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