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JAK-2/3-IN-2

CAT: 0804-HY-151256Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-151256Size:1 Each
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Description
JAK-2/3-IN-2 (Compound 3h) is a JAK2 and JAK3 inhibitor with IC50s of 23.85 nM and 18.9 nM, respectively[1].
CAS Number
2170398-48-6
UNSPSC
12352005
Target
JAK
Type
Reference compound
Related Pathways
Epigenetics; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; Stem Cell/Wnt
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/jak-2-3-in-2.html
Solubility
10 mM in DMSO
Smiles
O=C1N(C2=CC=CC=C2Cl)N(CC)C(C)=C1SC3=CC=C(C)C=C3
Molecular Formula
C19H19ClN2OS
Molecular Weight
358.88
References & Citations
[1]Sanachai K, et al. Pharmacophore-Based Virtual Screening and Experimental Validation of Pyrazolone-Derived Inhibitors toward Janus Kinases. ACS Omega, 2022.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
JAK2; JAK3

Chemical Information

Jak-2/3-IN-2
CAS Number2170398-48-6
PubChem CID165412603
IUPAC Name2-(2-chlorophenyl)-1-ethyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-one
Molecular FormulaC19H19ClN2OS
Molecular Weight358.9
XLogP5.6
Topological Polar Surface Area48.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity502
SMILES
CCN1C(=C(C(=O)N1C2=CC=CC=C2Cl)SC3=CC=C(C=C3)C)C
InChI
InChI=1S/C19H19ClN2OS/c1-4-21-14(3)18(24-15-11-9-13(2)10-12-15)19(23)22(21)17-8-6-5-7-16(17)20/h5-12H,4H2,1-3H3
InChIKey
SXIKZSHZOJXJQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jak-2/3-IN-2
CAS: 2170398-48-6
CID: 165412603
Formula: C19H19ClN2OS
MW: 358.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.9
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass358.0906621
Monoisotopic Mass358.0906621
Topological Polar Surface Area48.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity502
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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