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AAL-993

CAT: 1410-M27434-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M27434-06Size:100 mg
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Description
AAL-993 is a potent VEGFR inhibitor with IC50s of 130 nM, 23 nM and 18 nM for VEGFR1, VEGFR2 and VEGFR3, respectively.
CAS Number
269390-77-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
371.363
Molecular Formula
C20H16F3N3O
Notes
Research use only, not for human use.
Receptor
ROS|Beta Amyloid

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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Alternative Products

CatalogName
BML-EI367-0025AAL-993
MBS808126-01AAL 993
TBI1034-25MGAAL-993, VEGFR inhibitor
HY-151239-01ONT-993
T73409-01SBI-993
GTR19250025-01AAL-149
T201859-01(R) -AAL
HY-15423Dye 993

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