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Chemical structure of AGI-41998

GC64665

AGI-41998

Also known as 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one

AGI-41998 is a potent inhibitor of methionine adenosyltransferase 2A (MAT2A)

ChemicalCAS2377492-26-5MW505.29FormulaC22H16BrF3N4O2
CAS number
2377492-26-5
Molecular weight
505.29
Formula
C22H16BrF3N4O2
Solubility
DMSO : 83·33 mg/mL (164·92 mM; Need ultrasonic)
InChIKey
QHXQQFITXAUNPR-UHFFFAOYSA-N
Catalogue number
GC64665
Brand
GLPBIO
Computed properties PubChem CID 139552098 · XLogP 3.7 · TPSA 66.3 Ų · H-bond donors 1
XLogP
3.7
TPSA
66.3 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32

SMILES COC1=CC=C(C=C1)N2C=C3C=NC(=NC3=C(C2=O)C4=CC=C(C=C4)Br)NCC(F)(F)F

Computed descriptors from PubChem (CID 139552098), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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