2135304-43-5

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2135304-43-5 Structure

Identification	Back Directory
[Name] KHK-IN-2
[CAS] 2135304-43-5
[Synonyms] KHK-IN-2 KHK inhibitor 2 3-Pyridinecarbonitrile, 6-[(3S,4S)-3,4-dihydroxy-1-pyrrolidinyl]-2-[(3S)-3-hydroxy-3-methyl-1-pyrrolidinyl]-4-(trifluoromethyl)-
[Molecular Formula] C16H19F3N4O3
[MOL File] 2135304-43-5.mol
[Molecular Weight] 372.34

Chemical Properties	Back Directory
[Boiling point ] 650.6±55.0 °C(Predicted)
[density ] 1.55±0.1 g/cm3(Predicted)
[storage temp. ] Store at -20°C
[solubility ] DMSO : 250 mg/mL (671.43 mM; Need ultrasonic)
[form ] Solid
[pka] 13?+-.0.40(Predicted)
[color ] Light yellow to yellow

Hazard Information	Back Directory
[Uses] KHK-IN-2 is a potent and selective ketohexokinase (KHK) inhibitor with an IC50 of 0.45 μM.
[storage] Store at -20°C
[References] [1] Huard K, et al. Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J Med Chem. 2017 Sep 28;60(18):7835-7849. DOI:10.1021/acs.jmedchem.7b00947

Spectrum Detail	Back Directory
[Spectrum Detail] KHK-IN-2(2135304-43-5)¹HNMR

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