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AZ-TAK1

CAT: 0013-GTR19209112-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209112-02Size:50 mg
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Description
AZ-Tak1 is a potent, selective TAK1 kinase inhibitor (IC50 = 0.009 mM) . It induces dose- and time-dependent apoptosis in mantle cell lymphoma cell lines (e.g., Mino, SP53, Jeko) by reducing p38 and ERK levels. This compound is a valuable research tool for studying TAK1 signaling in oncology and inflammation, both in vitro and in vivo.
CAS Number
1413440-36-4
Field of Research
Signal Transduction
Smiles
FC=1C (C=2N3C (=NC2) C=CC=N3) =NC (NC4=CC (OCCN5CCC (O) CC5) =CC (CC) =C4) =NC1
Molecular Formula
C25H28FN7O2
Molecular Weight
477.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AZ-Tak1
CAS Number1413440-36-4
PubChem CID71543324
IUPAC Name1-[2-[3-ethyl-5-[(5-fluoro-4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]ethyl]piperidin-4-ol
Molecular FormulaC25H28FN7O2
Molecular Weight477.5
XLogP3
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity655
SMILES
CCC1=CC(=CC(=C1)OCCN2CCC(CC2)O)NC3=NC=C(C(=N3)C4=CN=C5N4N=CC=C5)F
InChI
InChI=1S/C25H28FN7O2/c1-2-17-12-18(14-20(13-17)35-11-10-32-8-5-19(34)6-9-32)30-25-28-15-21(26)24(31-25)22-16-27-23-4-3-7-29-33(22)23/h3-4,7,12-16,19,34H,2,5-6,8-11H2,1H3,(H,28,30,31)
InChIKey
VZWXALUQDOYOJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AZ-Tak1
CAS: 1413440-36-4
CID: 71543324
Formula: C25H28FN7O2
MW: 477.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass477.22885132
Monoisotopic Mass477.22885132
Topological Polar Surface Area101 Ų
Heavy Atom Count35
Formal Charge0
Complexity655
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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