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NVP-TAE 226

CAT: 0804-HY-13203-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13203-01Size:5 mg
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Description
NVP-TAE 226 (TAE226) is a potent and ATP-competitive dual FAK and IGF-1R inhibitor with IC50s of 5.5 nM and 140 nM, respectively. NVP-TAE 226 (TAE226) also effectively inhibits Pyk2 and insulin receptor (InsR) with IC50s of 3.5 nM and 44 nM, respectively[1][2].
CAS Number
761437-28-9
Product Name Alternative
TAE226
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Apoptosis; FAK; IGF-1R; Insulin Receptor; Pyk2
Type
Reference compound
Related Pathways
Apoptosis; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer; Endocrinology
Assay Protocol
https://www.medchemexpress.com/NVP-TAE-226.html
Purity
99.77
Solubility
DMSO : 11.11 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=C(C=CC=C1)NC2=NC(NC3=C(C=C(C=C3)N4CCOCC4)OC)=NC=C2Cl)NC
Molecular Formula
C23H25ClN6O3
Molecular Weight
468.94
Precautions
H302, H315, H319, H335
References & Citations
[1]Liu TJ, et al. Inhibition of both focal adhesion kinase and insulin-like growth factor-I receptor kinase suppresses glioma proliferation in vitro and in vivo. Mol Cancer Ther, 2007, 6 (4), 1357-1367.|[2]Delimont D, et al. Laminin α2-mediated focal adhesion kinase activation triggers Alport glomerular pathogenesis. PLoS One. 2014 Jun 10;9 (6) :e99083.|[3]Lietha D, et al. Crystal structures of the FAK kinase in complex with TAE226 and related bis-anilino pyrimidine inhibitors reveal a helical DFG conformation. PLoS One. 2008;3 (11) :e3800.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-((5-chloro-2-((2-methoxy-4-morpholin-4-ylphenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide

2-[[5-chloro-2-[2-methoxy-4-(4-morpholinyl)anilino]-4-pyrimidinyl]amino]-N-methylbenzamide is a member of morpholines.

CAS Number761437-28-9
PubChem CID9934347
IUPAC Name2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide
Molecular FormulaC23H25ClN6O3
Molecular Weight468.9
XLogP4.1
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity625
SMILES
CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCOCC4)OC
InChI
InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)
InChIKey
UYJNQQDJUOUFQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((5-chloro-2-((2-methoxy-4-morpholin-4-ylphenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide
CAS: 761437-28-9
CID: 9934347
Formula: C23H25ClN6O3
MW: 468.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.9
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass468.1676664
Monoisotopic Mass468.1676664
Topological Polar Surface Area101 Ų
Heavy Atom Count33
Formal Charge0
Complexity625
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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FT153807-01NVP TAE 226
T1918-01NVP-TAE 226
MBS3605889-01NVP-TAE 684
MBS130233-01NVP TAE 684
A11507-100NVP-TAE 226 100mg
A11507-25NVP-TAE 226 25mg
A11507-2NVP-TAE 226 2mg
A11507-10NVP-TAE 226 10mg
A11507-5NVP-TAE 226 5mg
A11507-50NVP-TAE 226 50mg

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