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328543-09-5 | AG14361
CAS No: 328543-09-5 Catalog No: AG003AIR MDL No:MFCD18385009
Product Description
Catalog Number:
AG003AIR
Chemical Name:
AG14361
CAS Number:
328543-09-5
Molecular Formula:
C19H20N4O
Molecular Weight:
320.3883
MDL Number:
MFCD18385009
IUPAC Name:
2-[4-[(dimethylamino)methyl]phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
InChI:
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)
InChI Key:
SEKJSSBJKFLZIT-UHFFFAOYSA-N
SMILES:
CN(Cc1ccc(cc1)c1nc2c3n1CCNC(=O)c3ccc2)C
UNII:
48N0U0K50I
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.164g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.396g/mol
Monoisotopic Mass:
320.164g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| A human tRNA synthetase is a potent PARP1-activating effector target for resveratrol. | Nature 20150319 |
| Drug repurposing screen identifies lestaurtinib amplifies the ability of the poly (ADP-ribose) polymerase 1 inhibitor AG14361 to kill breast cancer associated gene-1 mutant and wild type breast cancer cells. | Breast cancer research : BCR 20140101 |
| Identification of potent Yes1 kinase inhibitors using a library screening approach. | Bioorganic & medicinal chemistry letters 20130801 |
| Trapping of PARP1 and PARP2 by Clinical PARP Inhibitors. | Cancer research 20121101 |
| Novel pathway of centrosome amplification that does not require DNA lesions. | Cancer science 20120201 |
| Cooperation of breast cancer proteins PALB2 and piccolo BRCA2 in stimulating homologous recombination. | Nature structural & molecular biology 20101001 |
| Vasoactivity of AG014699, a clinically active small molecule inhibitor of poly(ADP-ribose) polymerase: a contributory factor to chemopotentiation in vivo? | Clinical cancer research : an official journal of the American Association for Cancer Research 20091001 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| The novel poly(ADP-Ribose) polymerase inhibitor, AG14361, sensitizes cells to topoisomerase I poisons by increasing the persistence of DNA strand breaks. | Clinical cancer research : an official journal of the American Association for Cancer Research 20051201 |
| Specific killing of BRCA2-deficient tumours with inhibitors of poly(ADP-ribose) polymerase. | Nature 20050414 |
| Effects of novel inhibitors of poly(ADP-ribose) polymerase-1 and the DNA-dependent protein kinase on enzyme activities and DNA repair. | Oncogene 20040923 |
| Novel poly(ADP-ribose) polymerase-1 inhibitor, AG14361, restores sensitivity to temozolomide in mismatch repair-deficient cells. | Clinical cancer research : an official journal of the American Association for Cancer Research 20040201 |
| Anticancer chemosensitization and radiosensitization by the novel poly(ADP-ribose) polymerase-1 inhibitor AG14361. | Journal of the National Cancer Institute 20040107 |
| Radiosensitization and DNA repair inhibition by the combined use of novel inhibitors of DNA-dependent protein kinase and poly(ADP-ribose) polymerase-1. | Cancer research 20030915 |
| Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. | Journal of medicinal chemistry 20030116 |
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