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2359649-81-1

2359649-81-1 Structure

2359649-81-1 Structure
IdentificationBack Directory
[Name]

INDEX NAME NOT YET ASSIGNED
[CAS]

2359649-81-1
[Synonyms]

Enbezotinib
(13E,14E,15aR,18aS,5S)-35-fluoro-5-methyl-15,15a,16,17,18,18a-hexahydro-4-oxa-7-aza-1(5,3)-cyclopenta[b]pyrazolo[1',5':1,2]pyrimido[4,5-e][1,4]oxazina-3(3,2)-pyridinacyclooctaphan-8-one
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-, (3aR,11S,20aS)-
[Molecular Formula]

C21H21FN6O3
[MOL File]

2359649-81-1.mol
[Molecular Weight]

424.43
Chemical PropertiesBack Directory
[density ]

1.68±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 100 mg/mL (235.61 mM; ultrasonic and warming and heat to 80°C)
[form ]

Solid
[pka]

10.44±0.40(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

Enbezotinib, an inhibitor of RET, can inhibit the RET autophosphorylation. Enbezotinib can be used for the research of cancer[1].
[in vivo]

Enbezotinib (compound 5) (2-5 mg/kg; twice daily for 27 days) decreases tumor size in mice[1].

[References]

[1] ROGERS EW, et, al. Macrocyclic compounds for treating disease. WO2019126121A1.
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]?oxatriazacyclotridec?in-?14(11H)?-?one, 7-?fluoro-?2,?3,?3a,?12,?13,?20a-?hexahydro-?11-?methyl-?, (3aR,?11S,?20aS)?-(2359649-81-1)1HNMR
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