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AAL-993

CAT: 0931-T21593-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T21593-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
269390-77-4
Target
VEGFR
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors
Purity
0.9965
Bioactivity
AAL-993 is a potent VEGFR inhibitor with IC50s of 130 nM, 23 nM and 18 nM for VEGFR1, VEGFR2 and VEGFR3, respectively. AAL993 has a weak inhibitory effect on other tyrosine kinases. AAL993 also shows potent antiangiogenic and antitumor activities.
Smiles
FC(F)(F)c1cccc(NC(=O)c2ccccc2NCc2ccncc2)c1
Molecular Formula
C20H16F3N3O
Molecular Weight
371.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide

an antiangiogenic VEGF receptor kinase inhibitor with antineoplastic activity; structure in first source

CAS Number269390-77-4
PubChem CID6398883
IUPAC Name2-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
Molecular FormulaC20H16F3N3O
Molecular Weight371.4
XLogP4.6
Topological Polar Surface Area54
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity480
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NCC3=CC=NC=C3
InChI
InChI=1S/C20H16F3N3O/c21-20(22,23)15-4-3-5-16(12-15)26-19(27)17-6-1-2-7-18(17)25-13-14-8-10-24-11-9-14/h1-12,25H,13H2,(H,26,27)
InChIKey
BLAFVGLBBOPRLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide
CAS: 269390-77-4
CID: 6398883
Formula: C20H16F3N3O
MW: 371.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.4
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass371.12454663
Monoisotopic Mass371.12454663
Topological Polar Surface Area54 Ų
Heavy Atom Count27
Formal Charge0
Complexity480
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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BML-EI367-0025AAL-993
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