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4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile , CAS No.R610620, Inhibitor of IP 3 kinase A;Inhibitor of IP 3 kinase B;Inhibitor of IP 3 kinase C
Basic Description Synonyms example 71 [US20090306039] Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of IP 3 kinase A;Inhibitor of IP 3 kinase B;Inhibitor of IP 3 kinase C
Names and Identifiers IUPAC Name 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile INCHI InChI=1S/C22H21F3N6/c1-15-13-30(8-9-31(15)20-7-6-19(12-27-20)22(23,24)25)14-18-11-28-29-21(18)17-4-2-16(10-26)3-5-17/h2-7,11-12,15H,8-9,13-14H2,1H3,(H,28,29)/t15-/m1/s1 InChi Key VNTCGXMLDSKOKN-OAHLLOKOSA-N Canonical SMILES N#Cc1ccc(cc1)c1n[nH]cc1CN1CCN([C@@H](C1)C)c1ccc(cn1)C(F)(F)F Isomeric SMILES C[C@@H]1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)CC3=C(NN=C3)C4=CC=C(C=C4)C#N PubChem CID 57999583
References 1. Miller AT, Dahlberg C, Sandberg ML, Wen BG, Beisner DR, Hoerter JA, Parker A, Schmedt C, Stinson M, Avis J et al. . (2015) Inhibition of the Inositol Kinase Itpkb Augments Calcium Signaling in Lymphocytes and Reveals a Novel Strategy to Treat Autoimmune Disease.. PLoS ONE, 10 (6): (e0131071). [PMID:26121493 ]
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