N-[4-(6-Fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

Product Name: N-[4-(6-Fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CAS No.: 1009344-33-5
Chemical Name: N-[4-(6-Fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
Synonyms: XEN1101;Azetukalner;KCNQ2/3 activator-1;Encukalner (XEN-1101);KCNQ2/3 activator-1, 10 mM in DMSO;N-(4-(6-Fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide;N-[4-(6-Fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide;N-[4-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide;Butanamide, N-[4-(6-fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethyl-;KCNQ2/3 activator-1,activator,Potassium Channel,KCNQ2/3,KCNQ2/3 activator 1,KcsA,inhibit,pain,Inhibitor,KCNQ2/3 activator1,KCNQ-2/3 activator-1
CBNumber: CB82657736
Molecular Formula: C23H29FN2O
Formula Weight: 368.49
MOL File: 1009344-33-5.mol

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N-[4-(6-Fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide Property

Boiling point:: 541.8±50.0 °C(Predicted)
Density: 1.125±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: Store at -20°C
solubility: DMSO : 50 mg/mL (135.69 mM; Need ultrasonic)
pka: 14.59±0.70(Predicted)
form: Solid
color: Off-white to gray
InChI: InChI=1S/C23H29FN2O/c1-15-10-20(11-16(2)22(15)25-21(27)13-23(3,4)5)26-9-8-17-12-19(24)7-6-18(17)14-26/h6-7,10-12H,8-9,13-14H2,1-5H3,(H,25,27)
InChIKey: FJNPZKZPWVVSON-UHFFFAOYSA-N
SMILES: C(NC1=C(C)C=C(N2CCC3=C(C2)C=CC(F)=C3)C=C1C)(=O)CC(C)(C)C

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Hazard and Precautionary Statements (GHS)

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N-[4-(6-Fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide Chemical Properties,Usage,Production

Uses

KCNQ2/3 activator-1 is an activator of Kv7.2/Kv7.3 (KCNQ2/3) potassium channel. KCNQ2/3 activator-1 has the potential in relieving pain (the main problem from medical treatment) (extracted from patent WO2021113757A1, compound A)[1].

References

[1] Bialer M, et al. Progress report on new antiepileptic drugs: A summary of the Fifteenth Eilat Conference on New Antiepileptic Drugs and Devices (EILAT XV). I. Drugs in preclinical and early clinical development. Epilepsia. 2020 Nov;61(11):2340-2364. DOI:10.1111/epi.16725
[2] Bialer M, et al. Progress report on new antiepileptic drugs: A summary of the Fourteenth Eilat Conference on New Antiepileptic Drugs and Devices (EILAT XIV). I. Drugs in preclinical and early clinical development. Epilepsia. 2018 Oct;59(10):1811-1841. DOI:10.1111/epi.14557

N-[4-(6-Fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide Preparation Products And Raw materials

Raw materials

Preparation Products

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N-[4-(6-Fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide Suppliers

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1009344-33-5, N-[4-(6-Fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamideRelated Search:

N-[4-(6-Fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

Butanamide, N-[4-(6-fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-2,6-dimethylphenyl]-3,3-dimethyl-

KCNQ2/3 activator-1

KCNQ2/3 activator-1,activator,Potassium Channel,KCNQ2/3,KCNQ2/3 activator 1,KcsA,inhibit,pain,Inhibitor,KCNQ2/3 activator1,KCNQ-2/3 activator-1

XEN1101

N-(4-(6-Fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide

N-[4-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

Encukalner (XEN-1101)

KCNQ2/3 activator-1, 10 mM in DMSO

Azetukalner

1009344-33-5

C23H29FN2O