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1024168-48-6

1024168-48-6 Structure

1024168-48-6 Structure
IdentificationBack Directory
[Name]

1-Piperazinecarboxamide, 4-(5-cyano-2-pyridinyl)-N-[4-(1,1-dimethylethyl)phenyl]-
[CAS]

1024168-48-6
[Synonyms]

Pantothenate kinase-IN-1
1-Piperazinecarboxamide, 4-(5-cyano-2-pyridinyl)-N-[4-(1,1-dimethylethyl)phenyl]-
[Molecular Formula]

C21H25N5O
[MOL File]

1024168-48-6.mol
[Molecular Weight]

363.46
Chemical PropertiesBack Directory
[Boiling point ]

610.4±55.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[pka]

13.95±0.70(Predicted)
Hazard InformationBack Directory
[Uses]

Pantothenate kinase-IN-1 (Compound 1) is a pantothenate kinase (PANK) modulator with an IC50 of 0.51 μM against PANK3. Pantothenate kinase-IN-1 has a reasonable ligand efficiency (LipE = 2.8)[1].
[References]

[1] Sharma LK, et al. LipE guided discovery of isopropylphenyl pyridazines as pantothenate kinase modulators. Bioorg Med Chem. 2021 Dec 15;52:116504. DOI:10.1016/j.bmc.2021.116504
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