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TK4g

CAT: 0931-T61698-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T61698-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2232890-86-5
Target
Others, JAK
Related Pathways
Chromatin/Epigenetic, Angiogenesis, Stem Cells, JAK/STAT signaling, Others, Tyrosine Kinase/Adaptors
Bioactivity
TK4g is a potent Janus kinase (JAK) inhibitor, demonstrating IC50 values of 12.61 nM and 15.80 nM against JAK2 and JAK3, respectively. It holds promise for research focused on lymphoid-derived diseases and leukemia cancer [1].
Smiles
C(C)N1N(C(=O)C(C(=O)C2=CC=CC=C2)=C1C)C3=CC(S(N)(=O)=O)=CC=C3
Molecular Formula
C19H19N3O4S
Molecular Weight
385.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(4-Benzoyl-2-ethyl-3-methyl-5-oxopyrazol-1-yl)benzenesulfonamide
CAS Number2232890-86-5
PubChem CID165412604
IUPAC Name3-(4-benzoyl-2-ethyl-3-methyl-5-oxopyrazol-1-yl)benzenesulfonamide
Molecular FormulaC19H19N3O4S
Molecular Weight385.4
XLogP2.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity735
SMILES
CCN1C(=C(C(=O)N1C2=CC(=CC=C2)S(=O)(=O)N)C(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C19H19N3O4S/c1-3-21-13(2)17(18(23)14-8-5-4-6-9-14)19(24)22(21)15-10-7-11-16(12-15)27(20,25)26/h4-12H,3H2,1-2H3,(H2,20,25,26)
InChIKey
YUDCYGWINRMCBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Benzoyl-2-ethyl-3-methyl-5-oxopyrazol-1-yl)benzenesulfonamide
CAS: 2232890-86-5
CID: 165412604
Formula: C19H19N3O4S
MW: 385.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass385.10962727
Monoisotopic Mass385.10962727
Topological Polar Surface Area109 Ų
Heavy Atom Count27
Formal Charge0
Complexity735
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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