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1300031-49-5 | 2H-Imidazo[4,5-c]quinolin-2-one, 7-(3,5-dimethyl-4-isoxazolyl)-1,3-dihydro-8-methoxy-1-[(1R)-1-(2-pyridinyl)ethyl]-
CAS No: 1300031-49-5 Catalog No: AG000TW9 MDL No:MFCD22124472
Product Description
Catalog Number:
AG000TW9
Chemical Name:
2H-Imidazo[4,5-c]quinolin-2-one, 7-(3,5-dimethyl-4-isoxazolyl)-1,3-dihydro-8-methoxy-1-[(1R)-1-(2-pyridinyl)ethyl]-
CAS Number:
1300031-49-5
Molecular Formula:
C23H21N5O3
Molecular Weight:
415.4445
MDL Number:
MFCD22124472
IUPAC Name:
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one
InChI:
InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1
InChI Key:
VUVUVNZRUGEAHB-CYBMUJFWSA-N
SMILES:
COc1cc2c(cc1c1c(C)noc1C)ncc1c2n(c(=O)[nH]1)[C@@H](c1ccccn1)C
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
415.164g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.453g/mol
Monoisotopic Mass:
415.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| The BET inhibitor JQ1 selectively impairs tumour response to hypoxia and downregulates CA9 and angiogenesis in triple negative breast cancer. | Oncogene 20170105 |
| Antimyeloma activity of bromodomain inhibitors on the human myeloma cell line U266 by downregulation of MYCL. | Anti-cancer drugs 20160901 |
| Bromodomain and extraterminal (BET) proteins regulate biliary-driven liver regeneration. | Journal of hepatology 20160201 |
| BET Bromodomain Inhibition as a Therapeutic Strategy in Ovarian Cancer by Downregulating FoxM1. | Theranostics 20160101 |
| BRD4 is a novel therapeutic target for liver fibrosis. | Proceedings of the National Academy of Sciences of the United States of America 20151222 |
| Synergistic activity of BET protein antagonist-based combinations in mantle cell lymphoma cells sensitive or resistant to ibrutinib. | Blood 20150924 |
| BET bromodomain inhibition suppresses graft-versus-host disease after allogeneic bone marrow transplantation in mice. | Blood 20150423 |
| GLI2-dependent c-MYC upregulation mediates resistance of pancreatic cancer cells to the BET bromodomain inhibitor JQ1. | Scientific reports 20150101 |
| Blockade of oncogenic IκB kinase activity in diffuse large B-cell lymphoma by bromodomain and extraterminal domain protein inhibitors. | Proceedings of the National Academy of Sciences of the United States of America 20140805 |
| Histone deacetylase 2 and N-Myc reduce p53 protein phosphorylation at serine 46 by repressing gene transcription of tumor protein 53-induced nuclear protein 1. | Oncotarget 20140601 |
| Targeting Myc in KSHV-associated primary effusion lymphoma with BET bromodomain inhibitors. | Oncogene 20140529 |
| Potent antimyeloma activity of the novel bromodomain inhibitors I-BET151 and I-BET762. | Blood 20140130 |
| Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. | ACS medicinal chemistry letters 20130912 |
| Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. | Journal of medicinal chemistry 20130425 |
| From ApoA1 upregulation to BET family bromodomain inhibition: discovery of I-BET151. | Bioorganic & medicinal chemistry letters 20120415 |
| Fragment-based discovery of bromodomain inhibitors part 2: optimization of phenylisoxazole sulfonamides. | Journal of medicinal chemistry 20120126 |
| Inhibition of BET recruitment to chromatin as an effective treatment for MLL-fusion leukaemia. | Nature 20111002 |
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