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TIM-063

CAT: 0013-GTR19212104-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212104-01Size:25 mg
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Description
TIM-063 is a potent, cell-permeable CaMKK inhibitor that acts by competing with ATP at the kinase's catalytic domain. It shows high selectivity with K (i) values of 0.35 μM for CaMKKα and 0.2 μM for CaMKKβ. This tool compound is widely used in vitro to study AMPK and calcium signaling pathways in metabolic and neurological research.
CAS Number
2493978-38-2
Field of Research
Neuroscience
Smiles
N (=O) (=O) C1=C2C3=C (C=4N (C (=O) C3=CC=C2) C=5C (N4) =CC=CC5) C=C1O
Molecular Formula
C18H9N3O4
Molecular Weight
331.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 166642637
CAS Number2493978-38-2
PubChem CID166642637
IUPAC Name18-hydroxy-17-nitro-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one
Molecular FormulaC18H9N3O4
Molecular Weight331.3
XLogP4
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count25
Formal Charge0
Complexity593
SMILES
C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=CC5=C4C3=CC(=C5[N+](=O)[O-])O
InChI
InChI=1S/C18H9N3O4/c22-14-8-11-15-9(16(14)21(24)25)4-3-5-10(15)18(23)20-13-7-2-1-6-12(13)19-17(11)20/h1-8,22H
InChIKey
RDNQPAWXXJDVPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 166642637
CAS: 2493978-38-2
CID: 166642637
Formula: C18H9N3O4
MW: 331.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.3
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass331.05930578
Monoisotopic Mass331.05930578
Topological Polar Surface Area101 Ų
Heavy Atom Count25
Formal Charge0
Complexity593
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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