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AD80

CAT: 1568-C13463-03Size: 10 mM / 1 mLDry Ice: YesHazardous: No
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CAT#:1568-C13463-03Size:10 mM / 1 mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1384071-99-1
SKU
C13463-2mg
Target
C-RET
Applications
Protein Tyrosine Kinase
Smiles
CC (C) N1C2=NC=NC (=C2C (=N1) C3=CC=C (C=C3) NC (=O) NC4=C (C=CC (=C4) C (F) (F) F) F) N
Molecular Formula
C22H19F4N7O
Additionnal Information
AD80, a multikinase inhibitor, shows strong activity against human RET (c-RET), BRAF, S6K, and SRC but were much less active than either AD57 or AD58 against mTOR. The IC50 value for RET is 4 nM.
Storage Conditions
2 years -80 in solvent

Chemical Information

1-(4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea

AD80 is an organic molecular entity.

CAS Number1384071-99-1
PubChem CID71578106
IUPAC Name1-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular FormulaC22H19F4N7O
Molecular Weight473.4
XLogP3.7
Topological Polar Surface Area111
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity703
SMILES
CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F)N
InChI
InChI=1S/C22H19F4N7O/c1-11(2)33-20-17(19(27)28-10-29-20)18(32-33)12-3-6-14(7-4-12)30-21(34)31-16-9-13(22(24,25)26)5-8-15(16)23/h3-11H,1-2H3,(H2,27,28,29)(H2,30,31,34)
InChIKey
CYORWDWRQMVGHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
CAS: 1384071-99-1
CID: 71578106
Formula: C22H19F4N7O
MW: 473.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.4
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass473.15872090
Monoisotopic Mass473.15872090
Topological Polar Surface Area111 Ų
Heavy Atom Count34
Formal Charge0
Complexity703
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

Alternative Products

CatalogName
S8518-5mgAD80
A19332-50AD80 50mg
A19332-25AD80 25mg
A19332-10AD80 10mg
A19332-500AD80 500mg
A19332-5AD80 5mg
A19332-100AD80 100mg
A19332-1AD80 1mg

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