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N, N-Didesethyl Sunitinib

CAT: 0931-T60128-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T60128-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
873077-70-4
Target
AMPK
Related Pathways
PI3K/Akt/mTOR signaling, Chromatin/Epigenetic
Purity
0.9773
Bioactivity
N, N-Didesethyl Sunitinib is a potent AMPK inhibitor with IC50 of 393 nM and 141 nM for AMPKα1 and AMPK2, respectively.
Smiles
C(=C\1/C=2C(NC1=O)=CC=C(F)C2)\C3=C(C)C(C(NCCN)=O)=C(C)N3
Molecular Formula
C18H19FN4O2
Molecular Weight
342.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SU-014335
CAS Number873077-70-4
PubChem CID11221549
IUPAC NameN-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Molecular FormulaC18H19FN4O2
Molecular Weight342.4
XLogP0.9
Topological Polar Surface Area100
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity567
SMILES
CC1=C(NC(=C1C(=O)NCCN)C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O
InChI
InChI=1S/C18H19FN4O2/c1-9-15(22-10(2)16(9)18(25)21-6-5-20)8-13-12-7-11(19)3-4-14(12)23-17(13)24/h3-4,7-8,22H,5-6,20H2,1-2H3,(H,21,25)(H,23,24)/b13-8-
InChIKey
MUXSMSOGTBJZDC-JYRVWZFOSA-N
Chemical Structure
2D Structure
2D structure of SU-014335
CAS: 873077-70-4
CID: 11221549
Formula: C18H19FN4O2
MW: 342.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.4
XLogP30.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass342.14920402
Monoisotopic Mass342.14920402
Topological Polar Surface Area100 Ų
Heavy Atom Count25
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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