TIM-063

CAT: 0931-T73445-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T73445-01Size:25 mg

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CAS Number

2493978-38-2

Target

CaMK, Others

Related Pathways

Others, Neuroscience

Bioactivity

TIM-063 is a selective, cell-permeable inhibitor of CaMKK that competes with ATP, directly targeting the catalytic domain of CaMKK. It exhibits K (i) values of 0.35 μM for CaMKKα and 0.2 μM for CaMKKβ, with respective IC (50) values of 0.63 μM and 0.96 μM.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CID 166642637

CAS Number	2493978-38-2
PubChem CID	166642637
IUPAC Name	18-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 Formula	C18H9N3O4
Molecular Weight	331.3
XLogP	4
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	25
Formal Charge	0
Complexity	593

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

CAS: 2493978-38-2

CID: 166642637

Formula: C18H9N3O4

MW: 331.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	331.3
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	331.05930578
Monoisotopic Mass	331.05930578
Topological Polar Surface Area	101 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	593
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T70485-01	Exp 063
T9901A-521-01	BT-063
T63939-01	JBJ-09-063
T74561-01	JBJ-09-063 TFA
T72237-01	JBJ-09-063 hydrochloride
T202113-01	TIM-38
T209537-01	TIM-098a
T79365	TIM-3-IN-2
T63029-01	TIM-3-IN-1
TMAY-02256	Anti-Tim-4/TIMD4 Antibody (3X588)

Alternative Products

Catalog	Name
BA8449-10	TIM-063
MBS3600959-01	TAK-063
HY-P990561-01	BT-063
MBS5813027	Exp 063
GTR19184671-01	JBJ-09-063
A15799-100	TAK-063 100mg

TIM-063

Chemical Information

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