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CLK1-IN-3

CAT: 0804-HY-149262-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-149262-01Size:5 mg
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Description
CLK1-IN-3 (compound 10ad) is a potent and selective Clk1 inhibitor, with an IC50 of 5 nM and over 300-fold selectivity for Dyrk1A. CLK1-IN-3 also shows a relatively potent inhibition against Clk2 and Clk4, with IC50 values of 42 and 108 nM, respectively. CLK1-IN-3 potently induces autophagy in vitro. CLK1-IN-3 can be used for acute liver injury (ALI) research[1].
CAS Number
2922550-28-3
UNSPSC
12352005
Target
Autophagy; CDK; DYRK
Type
Reference compound
Related Pathways
Autophagy; Cell Cycle/DNA Damage; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/clk1-in-3.html
Purity
98.54
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CN1CCN(CC1)C2=CC=C(C=C2)C(NC3=CN=C4NC=C(C4=C3)C5=CN=CC(F)=C5)=O
Molecular Formula
C24H23FN6O
Molecular Weight
430.48
References & Citations
[1]Yang T, et al. Rational design and appraisal of selective Cdc2-Like kinase 1 (Clk1) inhibitors as novel autophagy inducers for the treatment of acute liver injury (ALI) . Eur J Med Chem. 2023 Mar 15;250:115168.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CLK; DYRK1

Chemical Information

Clk1-IN-3
CAS Number2922550-28-3
PubChem CID168355546
IUPAC NameN-[3-(5-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(4-methylpiperazin-1-yl)benzamide
Molecular FormulaC24H23FN6O
Molecular Weight430.5
XLogP2.7
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity636
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(NC=C4C5=CC(=CN=C5)F)N=C3
InChI
InChI=1S/C24H23FN6O/c1-30-6-8-31(9-7-30)20-4-2-16(3-5-20)24(32)29-19-11-21-22(15-28-23(21)27-14-19)17-10-18(25)13-26-12-17/h2-5,10-15H,6-9H2,1H3,(H,27,28)(H,29,32)
InChIKey
LQKHTRXKHPHEPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clk1-IN-3
CAS: 2922550-28-3
CID: 168355546
Formula: C24H23FN6O
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass430.19173754
Monoisotopic Mass430.19173754
Topological Polar Surface Area77.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity636
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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