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AGI-026

CAT: 0013-GTR19198288-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198288-06Size:100 mg
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Description
AGI-026 (AGI-12026) is an orally bioavailable, brain-penetrant dual inhibitor of mutant IDH1/2, demonstrated to suppress the oncometabolite 2-HG in research models of glioma. It is a valuable tool compound for investigating mIDH-driven tumor biology in both in vitro and in vivo studies.
CAS Number
1446501-77-4
Product Name Alternative
AGI 026, AGI026, AGI-026, AGI12026, AGI-12026
Field of Research
Metabolism Research
Purity
99.79% (May vary between batches)
Smiles
FC (F) (F) C1=NC (=CC=C1) C=2N=C (N=C (N2) NC (C) C) NC=3C=CN=C (C3) C (F) (F) F
Molecular Formula
C18H15F6N7
Molecular Weight
443.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CAS Number1446501-77-4
PubChem CID89684116
IUPAC Name2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
Molecular FormulaC18H15F6N7
Molecular Weight443.3
XLogP4.4
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity573
SMILES
CC(C)NC1=NC(=NC(=N1)NC2=CC(=NC=C2)C(F)(F)F)C3=NC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C18H15F6N7/c1-9(2)26-15-29-14(11-4-3-5-12(28-11)17(19,20)21)30-16(31-15)27-10-6-7-25-13(8-10)18(22,23)24/h3-9H,1-2H3,(H2,25,26,27,29,30,31)
InChIKey
DWIQMUBNZXFUDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CAS: 1446501-77-4
CID: 89684116
Formula: C18H15F6N7
MW: 443.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.3
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Exact Mass443.12931248
Monoisotopic Mass443.12931248
Topological Polar Surface Area88.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity573
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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