ChemicalBook--->CAS DataBase List--->912656-34-9

912656-34-9

912656-34-9 Structure

912656-34-9 Structure
IdentificationBack Directory
[Name]

XEN907
[CAS]

912656-34-9
[Synonyms]

XEN907
XEN907; XEN 907; XEN-907
1'-pentylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
Spiro[furo[2,3-f]-1,3-benzodioxole-7(6H),3'-[3H]indol]-2'(1'H)-one, 1'-pentyl-
1-CYCLOPENTYL-1,2-DIHYDRO-6',10',12'-TRIOXASPIRO[INDOLE-3,4'-TRICYCLO[7.3.0.0^{3,7}]DODECANE]-1',3'(7'),8'-TRIEN-2-ONE
[Molecular Formula]

C21H21NO4
[MDL Number]

MFCD25371548
[MOL File]

912656-34-9.mol
[Molecular Weight]

351.4
Chemical PropertiesBack Directory
[Melting point ]

88-90 °C
[Boiling point ]

566.9±50.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

-0.19±0.20(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Description]

XEN907 is a novel spirooxindole NaV1.7 blocker with IC50 of 3 nM. It shows a further 10-fold increase in potency, which represents a promising structure for further optimization efforts in vitro.
[Uses]

XEN907 is a potent and spirooxindole blocker of NaV1.7, with an IC50 of 3 nM. XEN907 also inhibits CYP3A4 in a recombinant human enzyme assay. XEN907 can be used for the research of pain[1][2].
[in vivo]

XEN907 (10 mg/kg; p.o.) exhibits moderate oral bioavailability (13 %), Cmax (35 ng/mL), and AUClast (143 h?ng/mL) in rats[1].
XEN907 (3 mg/kg; i.v.) exhibits terminal elimination half-life (2.6 h), high plasma clearance (9.4 L/h/kg), and large volumes of distribution (35.0 L/kg) in rats[1].

[IC 50]

Nav1.7
[References]

[1] Chowdhury S, et al. Discovery of XEN907, a spirooxindole blocker of NaV1.7 for the treatment of pain. Bioorg Med Chem Lett. 2011 Jun 15;21(12):3676-81. DOI:10.1016/j.bmcl.2011.04.088
[2] Chowdhury S, et, al. Tetracyclic spirooxindole blockers of hNaV1.7: activity in vitro and in CFA-induced inflammatory pain model. Med Chem Res (2013) 22:1825–1836.
Spectrum DetailBack Directory
[Spectrum Detail]

XEN907(912656-34-9)1HNMR
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