| Identification | Back Directory | [Name]
CPD2206 | [CAS]
2152628-33-4 | [Synonyms]
CPD2206
LOX-292
LOXO-292
SELPERCATINIB
LOXO-292 USP/EP/BP
Inhibitor LOXO-292
LOXO-292,Selpercatinib
Selpercatinib(LOXO-292)
LOXO-292; LOXO292;LOXO 292
6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
Pyrazolo[1,5-a]pyridine-3-carbonitrile, 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]hept-3-yl]-3-pyridinyl]-
6-?(2-?Hydroxy-?2-?methylpropoxy)?-?4-?[6-?[6-?[(6-?methoxy-?3-?pyridinyl)?methyl]?-?3,?6-?diazabicyclo[3.1.1]?hept-?3-?yl]?-?3-?pyridinyl]?pyrazolo[1,?5-?a]?pyridine-?3-?carbonitrile | [EINECS(EC#)]
207-854-9 | [Molecular Formula]
C29H31N7O3 | [MDL Number]
MFCD31814089 | [MOL File]
2152628-33-4.mol | [Molecular Weight]
525.6 |
| Chemical Properties | Back Directory | [density ]
1.36±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO:20.0(Max Conc. mg/mL);38.05(Max Conc. mM) | [form ]
A crystalline solid | [pka]
14.00±0.29(Predicted) | [color ]
White to off-white | [InChIKey]
XIIOFHFUYBLOLW-UHFFFAOYSA-N | [SMILES]
C12=C(C#N)C=NN1C=C(OCC(O)(C)C)C=C2C1=CC=C(N2CC3CC(N3CC3=CC=C(OC)N=C3)C2)N=C1 |
| Hazard Information | Back Directory | [Uses]
Selpercatinib is a small molecule protein kinase inhibitor which may be used in the treatment of cancer. | [Brand name]
Retevmo | [General Description]
Class: receptor tyrosine kinase;
Treatment: RET-altered lung/thyroid cancers;
Other name: ARRY-192, LOXO-292;
Oral bioavailability = 73%;
Elimination half-life = 32 h;
Protein binding = 97% | [Side effects]
Selpercatinib can cause serious side effects including liver toxicity, high blood pressure, heart rhythm changes due to prolongation of heart electrical activity (QT prolongation), bleeding, allergic reactions, impaired wound healing and harm to an unborn baby.
Selpercatinib may cause harm to a developing fetus or a newborn baby. | [target]
RET | [storage]
Store at -20°C | [Dosage]
The recommended selpercatinib dose based on body weight is:
(1) Less than 50 kg: 120 mg orally twice daily
(2) 50 kg or greater: 160 mg orally twice daily
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| Questions And Answer | Back Directory | [Binding Mode]
In the co-crystal structure of selpercatinib-RET
kinase, the pyrazolopyridine occupies the
adenosine pocket, forming a direct hydrogen bond
between N1 and amide NH of Ala807 and an indirect
hydrogen bond between C6 ether oxygen and amide
NH of Gly810 via a bound water molecule. In addition,
one piperazine nitrogen also interact with one water
molecule (Figs. 3, 4).
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