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1009344-33-5

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1009344-33-5 Structure

1009344-33-5 Structure
IdentificationBack Directory
[Name]

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

1009344-33-5
[Synonyms]

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

C23H29FN2O
[MOL File]

1009344-33-5.mol
[Molecular Weight]

368.49
Chemical PropertiesBack Directory
[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)
[form ]

Solid
[pka]

14.59±0.70(Predicted)
[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
Hazard InformationBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

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