Details
Stereochemistry | ACHIRAL |
Molecular Formula | C19H20N4O |
Molecular Weight | 320.3883 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C)CC1=CC=C(C=C1)C2=NC3=C4N2CCNC(=O)C4=CC=C3
InChI
InChIKey=SEKJSSBJKFLZIT-UHFFFAOYSA-N
InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)
Molecular Formula | C19H20N4O |
Molecular Weight | 320.3883 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/14522929 | https://www.ncbi.nlm.nih.gov/pubmed/14709739Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/16322308
Sources: https://www.ncbi.nlm.nih.gov/pubmed/14522929 | https://www.ncbi.nlm.nih.gov/pubmed/14709739
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/16322308
AG-14361 binds to the catalytic domain of PARP-1 and is a potent, selective inhibitor. AG-14361 is a selective inhibitor of PARP-1 with Ki50 value <5 nM. AG-14361 is the first high-potency PARP-1 inhibitor with the specificity and in vivo activity to enhance chemotherapy and radiation therapy of human cancer.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3105 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14709739 |
14.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
PubMed
Title | Date | PubMed |
---|---|---|
Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. | 2003 Jan 16 |
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Radiosensitization and DNA repair inhibition by the combined use of novel inhibitors of DNA-dependent protein kinase and poly(ADP-ribose) polymerase-1. | 2003 Sep 15 |
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Novel poly(ADP-ribose) polymerase-1 inhibitor, AG14361, restores sensitivity to temozolomide in mismatch repair-deficient cells. | 2004 Feb 1 |
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Anticancer chemosensitization and radiosensitization by the novel poly(ADP-ribose) polymerase-1 inhibitor AG14361. | 2004 Jan 7 |
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The novel poly(ADP-Ribose) polymerase inhibitor, AG14361, sensitizes cells to topoisomerase I poisons by increasing the persistence of DNA strand breaks. | 2005 Dec 1 |
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Cooperation of breast cancer proteins PALB2 and piccolo BRCA2 in stimulating homologous recombination. | 2010 Oct |
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Trapping of PARP1 and PARP2 by Clinical PARP Inhibitors. | 2012 Nov 1 |
Patents
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/14709739
50 mg/kg, intraperitoneally
Route of Administration:
Intraperitoneal
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/14522929
AG-14361 (0.4 uM) potentiated IR in PARP-1(+/+) (PF(90) = 1.37 +/- 0.03) but not PARP-1(-/-) MEFs cells.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:00:07 GMT 2023
by
admin
on
Sat Dec 16 09:00:07 GMT 2023
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Record UNII |
48N0U0K50I
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Record Status |
Validated (UNII)
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Record Version |
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