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GNF-5

CAT: 0013-GTR19162257-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162257-01Size:500 mg
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Description
GNF-5, an analogue of GNF-2 with improved pharmacokinetic properties, is a selective non-ATP competitive inhibitor of Bcr-Abl with an IC50 value of 0.22±0.1 uM (Wild type Abl) .
CAS Number
778277-15-9
Product Name Alternative
GNF-5 | GNF 5 | GNF5.
Purity
>98% (HPLC)
Solubility
Ethanol: 20 mg/mL warmed (47.8 mM) ; DMSO: 83 mg/mL (198.38 mM)
Smiles
O=C (NCCO) C1=CC=CC (C2=NC=NC (NC3=CC=C (OC (F) (F) F) C=C3) =C2) =C1
Molecular Formula
C20H17F3N4O3
Molecular Weight
418.37
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
N- (2-Hydroxyethyl) -3-[6-[[4- (trifluoromethoxy) phenyl]amino]-4-pyrimidinyl]benzamide

Chemical Information

N-(2-hydroxyethyl)-3-(6-((4-(trifluoromethoxy)phenyl)amino)-4-pyrimidinyl)benzamide

a non-receptor tyrosine kinase inhibitor

CAS Number778277-15-9
PubChem CID44129660
IUPAC NameN-(2-hydroxyethyl)-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
Molecular FormulaC20H17F3N4O3
Molecular Weight418.4
XLogP3.5
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity544
SMILES
C1=CC(=CC(=C1)C(=O)NCCO)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-6-4-15(5-7-16)27-18-11-17(25-12-26-18)13-2-1-3-14(10-13)19(29)24-8-9-28/h1-7,10-12,28H,8-9H2,(H,24,29)(H,25,26,27)
InChIKey
IIQUYGWWHIHOCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-hydroxyethyl)-3-(6-((4-(trifluoromethoxy)phenyl)amino)-4-pyrimidinyl)benzamide
CAS: 778277-15-9
CID: 44129660
Formula: C20H17F3N4O3
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass418.12527490
Monoisotopic Mass418.12527490
Topological Polar Surface Area96.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity544
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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