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N, N-Didesethyl Sunitinib

CAT: 0013-GTR19188284-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188284-01Size:1 mg
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Description
N, N-Didesethyl Sunitinib is a potent and selective AMPK inhibitor, demonstrating IC50 values of 393 nM for AMPKα1 and 141 nM for AMPKα2. This small molecule is a valuable research tool for investigating AMPK signaling in metabolic disorders and cancer, applicable in both in vitro and in vivo experimental models.
CAS Number
873077-70-4
Product Name Alternative
AMPK, AMPK-IN-4, N, N-Didesethyl Sunitinib Hydrochloride, N, NDidesethylSunitinibHydrochloride
Field of Research
Epigenetics & Chromatin, Pharmacology & Drug Discovery, Signal Transduction
Purity
97.10% (May vary between batches)
Solubility
DMSO:4.5 mg/mL (13.14 mM)
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
Storage Conditions
-20°C
Notes
For research use only.

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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