Name: Name:I-Bet151
Brand: Angene
SKU: AG000TW9
Rating: 90 (10 reviews)

Catalog Number:

AG000TW9

Chemical Name:

I-Bet151

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

Complexity:

665

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

415.164g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

415.453g/mol

Monoisotopic Mass:

415.164g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

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