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2359650-19-2

2359650-19-2 Structure

2359650-19-2 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Hazard InformationBack 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 DetailBack 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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