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SIK2/3-IN-1

CAT: 0804-HY-170237Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-170237Size:1 Each
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Description
SIK2/3-IN-1 (Compound 7S) is a selectively inhibitory agent of SIK2/3 with oral activity. SIK2/3-IN-1 can significantly inhibit tumor growth (without any body weight loss) in the MV4-11 AML mice CDX model. SIK2/3-IN-1 can be used in the research of MEF2C-dependent acute myeloid leukemia[1].
CAS Number
3038863-24-7
UNSPSC
12352005
Target
Salt-inducible Kinase (SIK)
Related Pathways
Immunology/Inflammation
Field of Research
Cancer
Smiles
O=C1N(CCC2=CC(C3=C(N=CC(C4=CN(N=C4)C)=C3)N)=NC(OC)=C12)CC(F)(F)F
Molecular Formula
C20H19F3N6O2
Molecular Weight
432.40
References & Citations
[1]Zhu W, et al. Discovery of Novel SIK2/3 Inhibitors for the Potential Treatment of MEF2C+ Acute Myeloid Leukemia (AML) . J Med Chem. 2025 Apr 10;68 (7) :7518-7538.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
SIK2; SIK3

Chemical Information

Sik2/3-IN-1
CAS Number3038863-24-7
PubChem CID172991788
IUPAC Name6-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methoxy-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2,7-naphthyridin-1-one
Molecular FormulaC20H19F3N6O2
Molecular Weight432.4
XLogP1.9
Topological Polar Surface Area99.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity653
SMILES
CN1C=C(C=N1)C2=CC(=C(N=C2)N)C3=NC(=C4C(=C3)CCN(C4=O)CC(F)(F)F)OC
InChI
InChI=1S/C20H19F3N6O2/c1-28-9-13(8-26-28)12-5-14(17(24)25-7-12)15-6-11-3-4-29(10-20(21,22)23)19(30)16(11)18(27-15)31-2/h5-9H,3-4,10H2,1-2H3,(H2,24,25)
InChIKey
CHHWWKMJOARNHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sik2/3-IN-1
CAS: 3038863-24-7
CID: 172991788
Formula: C20H19F3N6O2
MW: 432.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.4
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass432.15215836
Monoisotopic Mass432.15215836
Topological Polar Surface Area99.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity653
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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