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GNF-6

CAT: 0013-GTR19235314-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235314-01Size:10 mg
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Description
GNF-6 (Compound 14) is an ATP-competitive inhibitor effective against BCR-ABL and its gatekeeper T315I mutant, with IC50 values ranging from 0.09 to 0.59 μM. It stabilizes the inactive DFG-out conformation by disrupting the hydrophobic spine, making it a valuable chemical probe for studying kinase resistance mechanisms in chronic myeloid leukemia research.
CAS Number
839708-29-1
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
O=C1N (CC=2C (N1C) =NC (N) =NC2) C3=CC (NC (=O) C4=CC (C (F) (F) F) =CC=C4) =CC=C3C
Molecular Formula
C22H19F3N6O2
Molecular Weight
456.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-Amino-1-methyl-3-[5-[[3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-one
CAS Number839708-29-1
PubChem CID10062694
IUPAC NameN-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
Molecular FormulaC22H19F3N6O2
Molecular Weight456.4
XLogP2.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity737
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)N
InChI
InChI=1S/C22H19F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)(H2,26,27,29)
InChIKey
ZWVLMQTXUWMUII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Amino-1-methyl-3-[5-[[3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-one
CAS: 839708-29-1
CID: 10062694
Formula: C22H19F3N6O2
MW: 456.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass456.15215836
Monoisotopic Mass456.15215836
Topological Polar Surface Area104 Ų
Heavy Atom Count33
Formal Charge0
Complexity737
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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