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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H17N7
Molecular Weight 319.3638
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PP-121

SMILES

NC1=C2C(=NN(C3CCCC3)C2=NC=N1)C4=CC5=C(NC=C5)N=C4

InChI

InChIKey=NVRXTLZYXZNATH-UHFFFAOYSA-N
InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)

HIDE SMILES / InChI

Molecular Formula C17H17N7
Molecular Weight 319.3638
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/26235881 | https://www.ncbi.nlm.nih.gov/pubmed/26056008

PP121 is a multitargeted dual receptor tyrosine kinases inhibitor. PP121 blocks the proliferation of tumor cells by direct inhibition of oncogenic tyrosine kinases and phosphatidylinositol-3-OH kinases. PP-121 is a multi-targeted inhibitor of PDGFR, Hck, mTOR, VEGFR2, Src and Abl with IC50 of 2 nM, 8 nM, 10 nM, 12 nM, 14 nM and 18 nM, also inhibits DNA-PK with IC50 of 60 nM. PP121 blocks the proliferation of tumor cells by direct inhibition of oncogenic tyrosine kinases and phosphatidylinositol-3-OH kinases.

Approval Year

PubMed

PubMed

TitleDatePubMed
Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
2008 Nov
The anti-esophageal cancer cell activity by a novel tyrosine/phosphoinositide kinase inhibitor PP121.
2015 Sep 11
Patents

Sample Use Guides

30 mg/kg, oral gavage, daily, 30 d
Route of Administration: Oral
PP121 potently and dose-dependently (0.040 to 10 uM) blocked the phosphorylation of Akt, p70S6K and S6 in two glioblastoma cell lines, U87 and LN229. PP-121 at a low concentration of 40 nM inhibits Ret autophosphorylation in TT thyroid carcinoma cells that express the C634W oncogenic Ret mutant 35. PP-121 inhibits cell proliferation with IC50 of 50 nM in TT thyroid carcinoma cells. PP-121 inhibits cell proliferating stimulated only with VEGF with IC50 of 41 nM in human umbilical vein endothelial cells (HUVECs).
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:47:21 GMT 2023
Edited
by admin
on Fri Dec 15 16:47:21 GMT 2023
Record UNII
5B9VB06146
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PP-121
Common Name English
PP121
Code English
1-CYCLOPENTYL-3-(1H-PYRROLO(2,3-B)PYRIDIN-5-YL)-1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-AMINE
Systematic Name English
1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-AMINE, 1-CYCLOPENTYL-3-(1H-PYRROLO(2,3-B)PYRIDIN-5-YL)-
Systematic Name English
Code System Code Type Description
CAS
1092788-83-4
Created by admin on Fri Dec 15 16:47:21 GMT 2023 , Edited by admin on Fri Dec 15 16:47:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID00648002
Created by admin on Fri Dec 15 16:47:21 GMT 2023 , Edited by admin on Fri Dec 15 16:47:21 GMT 2023
PRIMARY
DRUG BANK
DB08052
Created by admin on Fri Dec 15 16:47:21 GMT 2023 , Edited by admin on Fri Dec 15 16:47:21 GMT 2023
PRIMARY
PUBCHEM
24905142
Created by admin on Fri Dec 15 16:47:21 GMT 2023 , Edited by admin on Fri Dec 15 16:47:21 GMT 2023
PRIMARY
FDA UNII
5B9VB06146
Created by admin on Fri Dec 15 16:47:21 GMT 2023 , Edited by admin on Fri Dec 15 16:47:21 GMT 2023
PRIMARY
CHEBI
50915
Created by admin on Fri Dec 15 16:47:21 GMT 2023 , Edited by admin on Fri Dec 15 16:47:21 GMT 2023
PRIMARY
Related Record Type Details
INHIBITOR -> TARGET
TARGET -> INHIBITOR