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TK4b

CAT: 0013-GTR19187546-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187546-01Size:25 mg
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Description
TK4b is a potent Janus kinase (JAK) inhibitor, demonstrating high selectivity for JAK3 (IC50 = 18.42 nM) and JAK2 (IC50 = 19.40 nM) . This small molecule is a valuable research tool for investigating JAK-STAT signaling pathways in the context of leukemia and lymphoid disorder research, both in vitro and in vivo.
CAS Number
2232890-81-0
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
C (C) N1N (C (=O) C (C (=O) C2=CC=CC=C2) =C1C) C3=CC (C) =C (C) C=C3
Molecular Formula
C21H22N2O2
Molecular Weight
334.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Benzoyl-2-(3,4-dimethylphenyl)-1-ethyl-5-methylpyrazol-3-one
CAS Number2232890-81-0
PubChem CID165412605
IUPAC Name4-benzoyl-2-(3,4-dimethylphenyl)-1-ethyl-5-methylpyrazol-3-one
Molecular FormulaC21H22N2O2
Molecular Weight334.4
XLogP4.6
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity562
SMILES
CCN1C(=C(C(=O)N1C2=CC(=C(C=C2)C)C)C(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C21H22N2O2/c1-5-22-16(4)19(20(24)17-9-7-6-8-10-17)21(25)23(22)18-12-11-14(2)15(3)13-18/h6-13H,5H2,1-4H3
InChIKey
FDITYPCGWONMKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Benzoyl-2-(3,4-dimethylphenyl)-1-ethyl-5-methylpyrazol-3-one
CAS: 2232890-81-0
CID: 165412605
Formula: C21H22N2O2
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass334.168127949
Monoisotopic Mass334.168127949
Topological Polar Surface Area40.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity562
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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