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CHEBI:234357 - AZD-8835

ChEBI IDCHEBI:234357
ChEBI NameAZD-8835
Stars
DefinitionA member of the class of triazoles that is 1H-1,2,4-triazole substituted by ethyl, 1-(3-hydroxypropanoyl)piperidin-4-yl, and 5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl groups at positions 1, 3, and 5, respectively. It is a potent inhibitor of PI3Kα and PI3Kδ (IC50 = of 6.2 and 5.7 nM, respectively) which was in a phase 1 clinical trial for the treatment of advanced solid tumours (trial now discontinued).
Last Modified19 June 2025
Submitteraxiao
DownloadsMolfile
FormulaC22H31N9O3
Net Charge0
Average Mass469.550
Monoisotopic Mass469.25499
SMILESCCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1
InChIInChI=1S/C22H31N9O3/c1-5-31-19(26-18(29-31)13-6-9-30(10-7-13)15(33)8-11-32)14-12-24-17(23)16(25-14)20-27-28-21(34-20)22(2,3)4/h12-13,32H,5-11H2,1-4H3,(H2,23,24)
InChIKeyZGRDYKFVDCFJCZ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor  An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol.
Applications:
bone density conservation agent  An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
AZD-8835 (CHEBI:234357) has role antineoplastic agent (CHEBI:35610)
AZD-8835 (CHEBI:234357) has role apoptosis inducer (CHEBI:68495)
AZD-8835 (CHEBI:234357) has role bone density conservation agent (CHEBI:50646)
AZD-8835 (CHEBI:234357) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
AZD-8835 (CHEBI:234357) is a N-acylpiperidine (CHEBI:48591)
AZD-8835 (CHEBI:234357) is a 1,3,4-oxadiazoles (CHEBI:46810)
AZD-8835 (CHEBI:234357) is a primary alcohol (CHEBI:15734)
AZD-8835 (CHEBI:234357) is a pyrazines (CHEBI:38314)
AZD-8835 (CHEBI:234357) is a triazoles (CHEBI:35727)
IUPAC Name 
1-(4-{5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1H-1,2,4-triazol-3-yl}piperidin-1-yl)-3-hydroxypropan-1-one
Synonyms  Source
AZD8835SUBMITTER
AZD 8835SUBMITTER
1-(4-(5-(5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-oneChEBI
Registry NumbersSources
CAS:1620576-64-8SUBMITTER
Citations