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Dyrk1A-IN-4

CAT: 0931-T60867-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60867-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2091883-59-7
Target
Others, DYRK
Related Pathways
Cell Cycle/Checkpoint, Others, Tyrosine Kinase/Adaptors
Bioactivity
Dyrk1A-IN-4 (compound 48) is a potent and orally active dual inhibitor of DYRK1A (IC50 = 2 nM) and DYRK2 (IC50 = 6 nM) with anticancer effects [1].
Smiles
C(C(F)(F)F)N1C=2C(N=C1C)=CC=C(N2)C=3C=C(N)N=C(N)C3
Molecular Formula
C14H13F3N6
Molecular Weight
322.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dyrk1A-IN-4
CAS Number2091883-59-7
PubChem CID135335888
IUPAC Name4-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
Molecular FormulaC14H13F3N6
Molecular Weight322.29
XLogP2
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity410
SMILES
CC1=NC2=C(N1CC(F)(F)F)N=C(C=C2)C3=CC(=NC(=C3)N)N
InChI
InChI=1S/C14H13F3N6/c1-7-20-10-3-2-9(8-4-11(18)22-12(19)5-8)21-13(10)23(7)6-14(15,16)17/h2-5H,6H2,1H3,(H4,18,19,22)
InChIKey
QHTJZFWEQYRYQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dyrk1A-IN-4
CAS: 2091883-59-7
CID: 135335888
Formula: C14H13F3N6
MW: 322.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.29
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass322.11537893
Monoisotopic Mass322.11537893
Topological Polar Surface Area95.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity410
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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