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Cpd27

CAT: 0931-T40581-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T40581-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
501693-48-7
Target
RIP kinase, Tie-2, VEGFR
Related Pathways
Apoptosis, Tyrosine Kinase/Adaptors, Angiogenesis, NF-κB
Purity
0.9889
Bioactivity
Cpd27 (TIE-2/VEGFR-2 kinase-IN-2) is a TIE-2 and VEGFR-2 inhibitor that inhibits RIPK1 and protects RGCs from TNF-stimulated cell death and can be used to study glaucoma.
Smiles
O=C(NC=1C=CC(=CC1)C2=COC3=NC=NC(N)=C32)NC4=CC(=CC=C4F)C(F)(F)F
Molecular Formula
C20H13F4N5O2
Molecular Weight
431.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

TIE-2/VEGFR-2 kinase-IN-2
CAS Number501693-48-7
PubChem CID10113568
IUPAC Name1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular FormulaC20H13F4N5O2
Molecular Weight431.3
XLogP3.8
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity631
SMILES
C1=CC(=CC=C1C2=COC3=NC=NC(=C23)N)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F
InChI
InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
InChIKey
KNDPXYAMINMLED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TIE-2/VEGFR-2 kinase-IN-2
CAS: 501693-48-7
CID: 10113568
Formula: C20H13F4N5O2
MW: 431.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.3
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass431.10053732
Monoisotopic Mass431.10053732
Topological Polar Surface Area106 Ų
Heavy Atom Count31
Formal Charge0
Complexity631
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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