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AKN-028 trifluoroacetate

CAT: 0013-GTR19195772-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195772-01Size:25 mg
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Description
AKN-028 trifluoroacetate is a research compound that exhibits anti-leukemic activity by inhibiting tyrosine kinase signaling and suppressing Myc-related pathways, leading to cell cycle arrest. It is utilized in vitro and in vivo for studying acute myeloid leukemia mechanisms and potential therapeutic strategies.
CAS Number
1175017-91-0
Field of Research
Cardiovascular Research, Cell Biology, Protein Biochemistry, Signal Transduction
Smiles
O=C (O) C (F) (F) F.N=1C=CC (=CC1) C=2N=C (NC=3C=CC=4NC=CC4C3) C (=NC2) N
Molecular Formula
C19H15F3N6O2
Molecular Weight
416.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AKN-028 trifluoroacetate
CAS Number1175017-91-0
PubChem CID72941987
IUPAC Name3-N-(1H-indol-5-yl)-5-pyridin-4-ylpyrazine-2,3-diamine;2,2,2-trifluoroacetic acid
Molecular FormulaC19H15F3N6O2
Molecular Weight416.4
Topological Polar Surface Area130
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity469
SMILES
C1=CC2=C(C=CN2)C=C1NC3=NC(=CN=C3N)C4=CC=NC=C4.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C17H14N6.C2HF3O2/c18-16-17(22-13-1-2-14-12(9-13)5-8-20-14)23-15(10-21-16)11-3-6-19-7-4-11;3-2(4,5)1(6)7/h1-10,20H,(H2,18,21)(H,22,23);(H,6,7)
InChIKey
FWEYJLNSAWCAPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AKN-028 trifluoroacetate
CAS: 1175017-91-0
CID: 72941987
Formula: C19H15F3N6O2
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass416.12085823
Monoisotopic Mass416.12085823
Topological Polar Surface Area130 Ų
Heavy Atom Count30
Formal Charge0
Complexity469
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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