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LNK01004

CAT: 0931-T205387-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T205387-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2445500-24-1
Target
JAK, STAT
Related Pathways
JAK/STAT signaling, Tyrosine Kinase/Adaptors, Chromatin/Epigenetic, Stem Cells, Angiogenesis
Bioactivity
LNK01004 is a JAK inhibitor that exhibits potent inhibitory effects on JAK1 (IC50: 10 nM), JAK2 (IC50: <0.51 nM), and TYK2 (IC50: 1.0 nM) . It can concurrently inhibit multiple cytokine-induced p-STAT signaling pathways and is applicable for research on diseases such as atopic dermatitis.
Smiles
N#CCNC(=O)C=1C=CC(=CC1)C2=NC(=NC=C2C)NC=3C=NN(C3)C4CC(OC(C)(C)C4)(C)C
Molecular Formula
C26H31N7O2
Molecular Weight
473.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(cyanomethyl)-4-[5-methyl-2-[[1-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide
CAS Number2445500-24-1
PubChem CID154928007
IUPAC NameN-(cyanomethyl)-4-[5-methyl-2-[[1-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide
Molecular FormulaC26H31N7O2
Molecular Weight473.6
XLogP3
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity770
SMILES
CC1=CN=C(N=C1C2=CC=C(C=C2)C(=O)NCC#N)NC3=CN(N=C3)C4CC(OC(C4)(C)C)(C)C
InChI
InChI=1S/C26H31N7O2/c1-17-14-29-24(32-22(17)18-6-8-19(9-7-18)23(34)28-11-10-27)31-20-15-30-33(16-20)21-12-25(2,3)35-26(4,5)13-21/h6-9,14-16,21H,11-13H2,1-5H3,(H,28,34)(H,29,31,32)
InChIKey
FKUOLCVQIHONCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(cyanomethyl)-4-[5-methyl-2-[[1-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide
CAS: 2445500-24-1
CID: 154928007
Formula: C26H31N7O2
MW: 473.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.6
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass473.25392326
Monoisotopic Mass473.25392326
Topological Polar Surface Area118 Ų
Heavy Atom Count35
Formal Charge0
Complexity770
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

Alternative Products

CatalogName
HY-171242LNK01004

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