| Identification | Back Directory | [Name]
AD80 | [CAS]
1384071-99-1 | [Synonyms]
AD80
Reaxys ID: 27131146
1-(4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)-3-(2-methyl-5-(trifluoromethyl)phenyl)urea
Urea, N-[4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-N'-[2-fluoro-5-(trifluoromethyl)phenyl]- | [Molecular Formula]
C22H19F4N7O | [MDL Number]
MFCD31382193 | [MOL File]
1384071-99-1.mol | [Molecular Weight]
473.43 |
| Chemical Properties | Back Directory | [Boiling point ]
530.9±50.0 °C(Predicted) | [density ]
1.49±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Store in freezer, under -20°C | [solubility ]
DMSO:122.0(Max Conc. mg/mL);257.69(Max Conc. mM)
Ethanol:94.0(Max Conc. mg/mL);198.55(Max Conc. mM) | [form ]
Solid | [pka]
12.47±0.70(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
AD80, a multikinase inhibitor, inhibits RET, RAF,SRCand S6K, with greatly reduced mTOR activity. | [Biological Activity]
AD80, a multi-kinase inhibitor, is more active against human RET (c-RET), BRAF, S6K, and SRC, but less active against mTOR than AD57 or AD58. Its IC50 value for RET (c-RET) is 4 nM. | [in vivo]
AD80 is a potent RET inhibitor with favorable pharmacokinetic profile in clinically relevant RET fusion-driven tumor models. In patient-derived xenograft species, AD80 effectively reduced RET-rearranged tumor size. | [target]
| Target | Value | Raf
(Cell-free) | | | Src < br/> (Cell-free) | | S6 Kinase
(Cell-free) | | RET V804M
(Cell-free assay) | 0.4 nM | RET V804L
(Cell-free assay) | 0.6 nM |
| [IC 50]
p70S6K; RAF; RET; SRC | [storage]
Store at -20°C | [References]
[1] Dar AC, et al. Chemical genetic discovery of targets and anti-targets for cancer polypharmacology.Nature. 2012 Jun 6;486(7401):80-4. DOI:10.1038/nature11127
[2] Liu H, et al. Pharmacologic Targeting of S6K1 in PTEN-Deficient Neoplasia.Cell Rep. 2017 Feb 28;18(9):2088-2095. DOI:10.1016/j.celrep.2017.02.022 |
|
|