Home Aminos 8-Fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-6h-pyrrolo[4,3,2-ef][2]benzazepin-6-one

8-Fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-6h-pyrrolo[4,3,2-ef][2]benzazepin-6-one

CAS No.:
283173-50-2
Catalog Number:
AG0037FK
Molecular Formula:
C19H18FN3O
Molecular Weight:
323.3641
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98+%
1 week
United States
$57
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Product Description
Catalog Number:
AG0037FK
Chemical Name:
8-Fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-6h-pyrrolo[4,3,2-ef][2]benzazepin-6-one
CAS Number:
283173-50-2
Molecular Formula:
C19H18FN3O
Molecular Weight:
323.3641
MDL Number:
MFCD11977252
IUPAC Name:
6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
InChI:
InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)
InChI Key:
HMABYWSNWIZPAG-UHFFFAOYSA-N
SMILES:
CNCc1ccc(cc1)c1[nH]c2c3c1CCNC(=O)c3cc(c2)F
UNII:
8237F3U7EH
Properties
Complexity:
466  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.143g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
323.371g/mol
Monoisotopic Mass:
323.143g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Rucaparib maintenance treatment for recurrent ovarian carcinoma after response to platinum therapy (ARIEL3): a randomised, double-blind, placebo-controlled, phase 3 trial. Lancet (London, England) 20171028
Rucaparib in relapsed, platinum-sensitive high-grade ovarian carcinoma (ARIEL2 Part 1): an international, multicentre, open-label, phase 2 trial. The Lancet. Oncology 20170101
Evaluation of rucaparib and companion diagnostics in the PARP inhibitor landscape for recurrent ovarian cancer therapy. Future oncology (London, England) 20160601
Phase 2 multicentre trial investigating intermittent and continuous dosing schedules of the poly(ADP-ribose) polymerase inhibitor rucaparib in germline BRCA mutation carriers with advanced ovarian and breast cancer. British journal of cancer 20160329
An evaluation in vitro of PARP-1 inhibitors, rucaparib and olaparib, as radiosensitisers for the treatment of neuroblastoma. BMC cancer 20160101
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Proteomic profiling identifies dysregulated pathways in small cell lung cancer and novel therapeutic targets including PARP1. Cancer discovery 20120901
Compromised CDK1 activity sensitizes BRCA-proficient cancers to PARP inhibition. Nature medicine 20110701
Central nervous system penetration and enhancement of temozolomide activity in childhood medulloblastoma models by poly(ADP-ribose) polymerase inhibitor AG-014699. British journal of cancer 20101109
Development of a functional assay for homologous recombination status in primary cultures of epithelial ovarian tumor and correlation with sensitivity to poly(ADP-ribose) polymerase inhibitors. Clinical cancer research : an official journal of the American Association for Cancer Research 20100415
Poly(adp-ribose) polymerase inhibitors: a novel drug class with a promising future. Cancer journal (Sudbury, Mass.) 20100101
Emergence of rationally designed therapeutic strategies for breast cancer targeting DNA repair mechanisms. Breast cancer research : BCR 20100101
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
Inhibition of poly(ADP-ribose) polymerase-1 enhances temozolomide and topotecan activity against childhood neuroblastoma. Clinical cancer research : an official journal of the American Association for Cancer Research 20090215
Phase I study of the poly(ADP-ribose) polymerase inhibitor, AG014699, in combination with temozolomide in patients with advanced solid tumors. Clinical cancer research : an official journal of the American Association for Cancer Research 20081201
Preclinical selection of a novel poly(ADP-ribose) polymerase inhibitor for clinical trial. Molecular cancer therapeutics 20070301
Anticancer chemosensitization and radiosensitization by the novel poly(ADP-ribose) polymerase-1 inhibitor AG14361. Journal of the National Cancer Institute 20040107
Potentiation of temozolomide and topotecan growth inhibition and cytotoxicity by novel poly(adenosine diphosphoribose) polymerase inhibitors in a panel of human tumor cell lines. Clinical cancer research : an official journal of the American Association for Cancer Research 20000701
Properties