TBK1/IKKε-IN-1

CAT: 0931-T13097-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T13097-01Size:25 mg

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CAS Number

2058264-32-5

Target

IκB/IKK

Related Pathways

NF-κB

Bioactivity

TBK1/IKKε-IN-1 is a dual inhibitor of TBK1 and IKKε with IC50 values of less than 100 nM.

Smiles

C(#N)C=1C=C(C2=C3C(C=C(O3)C4=C(OC)C=C(C(N(C)C)=O)C=N4)=NC=C2)C=CC1OC5CCOCC5

Molecular Formula

C28H26N4O5

Molecular Weight

498.53

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

TBK1/IKKepsilon-IN-1

CAS Number	2058264-32-5
PubChem CID	124156234
IUPAC Name	6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide
Molecular Formula	C28H26N4O5
Molecular Weight	498.5
XLogP	3.1
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	37
Formal Charge	0
Complexity	827

SMILES

CN(C)C(=O)C1=CC(=C(N=C1)C2=CC3=NC=CC(=C3O2)C4=CC(=C(C=C4)OC5CCOCC5)C#N)OC

InChI

InChI=1S/C28H26N4O5/c1-32(2)28(33)19-13-24(34-3)26(31-16-19)25-14-22-27(37-25)21(6-9-30-22)17-4-5-23(18(12-17)15-29)36-20-7-10-35-11-8-20/h4-6,9,12-14,16,20H,7-8,10-11H2,1-3H3

InChIKey

QHZNENVHULXUOO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2058264-32-5

CID: 124156234

Formula: C28H26N4O5

MW: 498.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	498.5
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	498.19031994
Monoisotopic Mass	498.19031994
Topological Polar Surface Area	111 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	827
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
T87496-01	TBK1/IKKε-IN-3
T15559-01	TBK1/IKKε-IN-2
T7951-01	TBK1/IKKε-IN-5
T39841	TBK1/IKKε-IN-6
T38263-01	TBK1/IKKε-IN-4
T73322	TBK1-IN-1
T11633-01	IKK-IN-1
T63919-01	IKKβ-IN-1
T207608-01	TBK1-IN-2
T212103-01	TBK1 ligand 2

Alternative Products

Catalog	Name
HY-U00457	TBK1/IKKε-IN-1
HY-122706	TBK1/IKKε-IN-3
GTR19189232	TBK1/IKKε-IN-6
GTR19174433-01	TBK1/IKKε-IN-2
C13785-01	TBK1/IKKε-IN-5
HY-124652-01	TBK1/IKKε-IN-4

TBK1/IKKε-IN-1

Chemical Information

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