| Identification | Back Directory | [Name]
17,19-Metheno-1H,5H-cyclopent[5,6][1,4]oxazino[3,4-i]pyrazolo[4,3-f]pyrido[3,2-l][1,4,8,10]oxatriazacyclotridecin-14(11H)-one, 7-fluoro-2,3,3a,12,13,20a-hexahydro-11-methyl-, (3aS,11R,20aR)- | [CAS]
2359650-19-2 | [Synonyms]
17,19-Metheno-1H,5H-cyclopent[5,6][1,4]oxazino[3,4-i]pyrazolo[4,3-f]pyrido[3,2-l][1,4,8,10]oxatriazacyclotridecin-14(11H)-one, 7-fluoro-2,3,3a,12,13,20a-hexahydro-11-methyl-, (3aS,11R,20aR)- | [Molecular Formula]
C21H21FN6O3 | [MOL File]
2359650-19-2.mol | [Molecular Weight]
424.43 |
| Chemical Properties | Back Directory | [density ]
1.68±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: 2 mg/mL (4.71 mM);Ethanol: Insoluble | [form ]
Solid | [pka]
10.44±0.40(Predicted) | [color ]
White to off-white | [Water Solubility ]
Water: Insoluble | [InChIKey]
BYYQDEOVMILBQT-XFBWCDHKSA-N | [SMILES]
O1C2=NC=C(F)C=C2CN2[C@@]3([H])CCC[C@@]3([H])OC3=CN4C(N=C23)=C(C=N4)C(=O)NC[C@H]1C |
| Hazard Information | Back Directory | [Uses]
Enbezotinib (enantiomer) (Compound 44) is the enantiomer form of Enbezotinib (HY-145565). Enbezotinib is an inhibitor of RET[1]. | [Biological Activity]
TPX-0046 is a novel RET/SRC inhibitor with a mean IC50 of 17 nM for RETG810R in Ba/F3 cell proliferation assay.
TPX-0046 is a new type of RET/SRC inhibitor and potent against a range of RET fusions and mutations including solvent front mutations (SFMs)-mediated resistance. In Ba/F3 RET engineered cells with SFMs proliferation test, the average IC50 is 1-17 nM.[2]
TPX-0046 demonstrates marked anti-tumor efficacy in vivo in multiple RET-driven cancer cell-derived and patient-derived xenograft tumor models.[2] | [storage]
Store at -20°C | [References]
[1] Noura J Choudhury, Alexander Drilon. Transl Lung Cancer Res. 2020 Dec;9(6):2571-2580.
[2] Alexander E Drilon, et al. Journal of Clinical. 2020 May; 38(15_suppl): 3616. |
| Spectrum Detail | Back Directory | [Spectrum Detail]
17,19-Metheno-1H,5H-cyclopent[5,6][1,4]oxazino[3,4-i]pyrazolo[4,3-f]pyrido[3,2-l][1,4,8,10]oxatriazacyclotridecin-14(11H)-one, 7-fluoro-2,3,3a,12,13,20a-hexahydro-11-methyl-, (3aS,11R,20aR)-(2359650-19-2)1HNMR
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