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CLK1-IN-1

CAT: 0804-HY-103082-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103082-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CLK1-IN-1 is a potent and selective of Cdc2-like kinase 1 (CLK1) inhibitor, with an IC50 of 2 nM.
CAS Number
2123491-32-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
CDK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/CLK1-IN-1.html
Purity
98.55
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
C[C@@H](C1=CC=C(F)C=C1)N2N=NC3=C2C4=CC(C5=CC=C6C(N=CO6)=C5)=CC=C4N=C3
Molecular Formula
C24H16FN5O
Molecular Weight
409.42
Precautions
H302, H315, H319
References & Citations
[1]Sun QZ, et al. Discovery of Potent and Selective Inhibitors of Cdc2-Like Kinase 1 (CLK1) as a New Class of Autophagy Inducers. J Med Chem. 2017 Jul 27;60 (14) :6337-6352.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CLK

Chemical Information

Clk1-IN-1
CAS Number2123491-32-5
PubChem CID129318964
IUPAC Name5-[1-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole
Molecular FormulaC24H16FN5O
Molecular Weight409.4
XLogP4.9
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity631
SMILES
C[C@@H](C1=CC=C(C=C1)F)N2C3=C4C=C(C=CC4=NC=C3N=N2)C5=CC6=C(C=C5)OC=N6
InChI
InChI=1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1
InChIKey
BHKVSOQUPYXVRZ-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Clk1-IN-1
CAS: 2123491-32-5
CID: 129318964
Formula: C24H16FN5O
MW: 409.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.4
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass409.13388831
Monoisotopic Mass409.13388831
Topological Polar Surface Area69.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity631
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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