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Chemical Report for: H94

Potent piperidinylpyrazolopyridine activator of LCAT Kobayashi H, Ohkawa N, Takano M, Kubota H, Onoda T, Kaneko T, Arai M, Terasaka N, inventors. Piperidinylpyrazolopyridine derivative. 9150575. United States Patent. 2015a, Onoda T, Kaneko T, Arai M, Kobayashi H, Terasaka N, inventors. Imidazopyridine Derivative. 2015087996. World Intellectual Property Organization. 2015


General
Type Trifluoro, Cyanide, Pyridine, Piperidine, Pyrazole
Chemical_Nomenclature 6-{4-[(4R)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile
Canonical SMILES C1CN(CCC1C2=C3C(=NN2)NC(=O)CC3(C(F)(F)F)O)C4=NC=C(C(=C4)C(F)(F)F)C#N
InChI InChI=1S/C19H16F6N6O2/c20-18(21,22)11-5-12(27-8-10(11)7-26)31-3-1-9(2-4-31)15-14-16(30-29-15)28-13(32)6-17(14,33)19(23,24)25/h5,8-9,33H,1-4,6H2,(H2,28,29,30,32)/t17-/m1/s1
InChIKey VTEXGUOJJDWHCA-QGZVFWFLSA-N
Other name(s)
________________________________________________________________________________________________
MW|474.4
Formula|C19H16F6N6O2
CAS_number|
PubChem|135567417
UniChem|VTEXGUOJJDWHCA-QGZVFWFLSA-N
IUPHAR|
Wikipedia|

Target
Families | H94 ligand of proteins in family: PC-sterol_acyltransferase
Stucture | 1 structure: 6MVD: Crystal structure of human Lecithin:cholesterol acyltransferase (LCAT) in complex with isopropyl dodec-11-enylfluorophosphonate (IDFP) and a small molecule activator supersedes 6DTJ
Protein | human-LCAT

References:
Search PubMed for references concerning: H94
    Title: Molecular basis for activation of lecithin:cholesterol acyltransferase by a compound that increases HDL cholesterol
    Manthei KA, Yang SM, Baljinnyam B, Chang L, Glukhova A, Yuan W, Freeman LA, Maloney DJ, Schwendeman A and Tesmer JJ <2 more author(s)>
    Ref: Elife, 7:, 2018 : PubMed

            


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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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