WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 205966
Description: Acalisib, also known as GS-9820, is an inhibitor of the beta and delta isoforms of the 110 kDa catalytic subunit of class IA phosphoinositide-3 kinases (PI3K) with potential immunomodulating and antineoplastic activities. p110beta/delta PI3K inhibitor GS-9820 inhibits the activity of PI3K, thereby preventing the production of the second messenger phosphatidylinositol-3,4,5-trisphosphate (PIP3), which decreases tumor cell proliferation and induces cell death. PI3K-mediated signaling is often dysregulated in cancer cells; the targeted inhibition of PI3K is designed to preserve PI3K signaling in normal, non-neoplastic cells.
MedKoo Cat#: 205966
Chemical Formula: C21H16FN7O
Exact Mass: 401.14004
Molecular Weight: 401.4
Elemental Analysis: C, 62.84; H, 4.02; F, 4.73; N, 24.43; O, 3.99
Synonym: GS-9820; GS9820; GS 9820; CAL120; CAL 120; CAL-120; Acalisib.
IUPAC/Chemical Name: (S)-2-(1-((7H-purin-6-yl)amino)ethyl)-6-fluoro-3-phenylquinazolin-4(3H)-one.
InChi Key: DOCINCLJNAXZQF-LBPRGKRZSA-N
InChi Code: InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
SMILES Code: O=C1N(C2=CC=CC=C2)C([C@@H](NC3=C4NC=NC4=NC=N3)C)=NC5=C1C=C(F)C=C5
1: Shugg RP, Thomson A, Tanabe N, Kashishian A, Steiner BH, Puri KD, Pereverzev A, Lannutti BJ, Jirik FR, Dixon SJ, Sims SM. Effects of isoform-selective phosphatidylinositol 3-kinase inhibitors on osteoclasts: actions on cytoskeletal organization, survival, and resorption. J Biol Chem. 2013 Dec 6;288(49):35346-57. doi: 10.1074/jbc.M113.507525. Epub 2013 Oct 16. PubMed PMID: 24133210; PubMed Central PMCID: PMC3853283