U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C22H19N7O
Molecular Weight 397.4326
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IC-87114

SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=CC=C3C)N=C2CN4C=NC5=C(N)N=CN=C45

InChI

InChIKey=GNWHRHGTIBRNSM-UHFFFAOYSA-N
InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)

HIDE SMILES / InChI

Description
Curator's Comment: description was created based on several sources, including: https://www.ncbi.nlm.nih.gov/pubmed/19689267

IC87114 is a PI3K-delta-specific inhibitor, which inhibits PI3K-delta 58-fold more potently than PI3K-gamma, and over 100-fold more potently than PI3K-alpha and PI3K-beta. Pharmacological investigations on IC87114 originally focused on its effect against inflammation and autoimmune diseases. IC87114 treatment dramatically blocked amphetamine-induced hyperlocomotion, suggestive of antipsychotic potential. In addition, IC87114 exhibited promising therapeutic effect in a murine asthma model.

Originator

Curator's Comment: https://www.ncbi.nlm.nih.gov/pubmed/12594293

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.5 µM [IC50]
29.0 µM [IC50]
75.0 µM [IC50]
Conditions

Conditions

PubMed

PubMed

TitleDatePubMed
Inhibition of class I phosphoinositide 3-kinase activity impairs proliferation and triggers apoptosis in acute promyelocytic leukemia without affecting atra-induced differentiation.
2009 Feb 1
Genetic disruption of the PI3K regulatory subunits, p85α, p55α, and p50α, normalizes mutant PTPN11-induced hypersensitivity to GM-CSF.
2012 Jul
Functional characterization of an isoform-selective inhibitor of PI3K-p110β as a potential anticancer agent.
2012 May
Patents

Sample Use Guides

0.1 mg/kg body weight
Route of Administration: Intraperitoneal
In human acute myeloid leukemia (AML) blast cells, such as bone marrow mononuclear cells (BMMCs), IC87114 (10 µM) inhibits both constitutive and Flt-3-stimulated Akt phosphorylation and cell proliferation.
Name Type Language
IC-87114
Common Name English
4(3H)-QUINAZOLINONE, 2-((6-AMINO-9H-PURIN-9-YL)METHYL)-5-METHYL-3-(2-METHYLPHENYL)-
Systematic Name English
Code System Code Type Description
CAS
371242-69-2
Created by admin on Sat Dec 16 09:43:26 GMT 2023 , Edited by admin on Sat Dec 16 09:43:26 GMT 2023
PRIMARY
FDA UNII
9HC746B1KF
Created by admin on Sat Dec 16 09:43:26 GMT 2023 , Edited by admin on Sat Dec 16 09:43:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID00190617
Created by admin on Sat Dec 16 09:43:26 GMT 2023 , Edited by admin on Sat Dec 16 09:43:26 GMT 2023
PRIMARY
PUBCHEM
9908783
Created by admin on Sat Dec 16 09:43:26 GMT 2023 , Edited by admin on Sat Dec 16 09:43:26 GMT 2023
PRIMARY