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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
Molecular Formula C22H19N7O
Molecular Weight 397.4326
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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.

CNS Activity

Originator

ICOS
2
Curator's Comment: https://www.ncbi.nlm.nih.gov/pubmed/12594293

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8297
 0.5 µM [IC50]
Inhibitor
8297
 29.0 µM [IC50]
Inhibitor
8297
 75.0 µM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Preclinical
Unknown

Approved Use

Unknown
Primary
Preclinical
Unknown

Approved Use

Unknown
Primary
Preclinical
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Key role of the p110delta isoform of PI3K in B-cell antigen and IL-4 receptor signaling: comparative analysis of genetic and pharmacologic interference with p110delta function in B cells.
2006 Jan 15
Patents

Patents

06518277
2
06667300
4
06800620
6
06949535
6
08138195
1
08440677
1
08492389
4
08623881
2
08637533
6
08653077
1
20020161014
8
20030195211
7
JP2003531209A
1
JP4642309B2
2

Sample Use Guides

In Vivo Use Guide
0.1 mg/kg body weight
Route of Administration: Intraperitoneal
In Vitro Use Guide
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.
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:43:26 GMT 2023
Edited
by admin
on Sat Dec 16 09:43:26 GMT 2023
Record UNII
9HC746B1KF
Record Status Validated (UNII)
Record Version
  • Download
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
Related Record Type Details
Structure of IC-87114
ACTIVE MOIETY
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