Home Halogens 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-ethyl-8-methoxy-1-methyl-, (4S)-

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-ethyl-8-methoxy-1-methyl-, (4S)-

CAS No.:
1260907-17-2
Catalog Number:
AG000RLX
Molecular Formula:
C22H22ClN5O2
Molecular Weight:
423.8954
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$179
- +
10mg
99%
1 week
United States
$273
- +
25mg
≥98%
1 week
United States
$578
- +
50mg
99%
1 week
United States
$690
- +
100mg
99%
1 week
United States
$1098
- +
200mg
99%
1 week
United States
$1723
- +
Product Description
Catalog Number:
AG000RLX
Chemical Name:
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-ethyl-8-methoxy-1-methyl-, (4S)-
CAS Number:
1260907-17-2
Molecular Formula:
C22H22ClN5O2
Molecular Weight:
423.8954
MDL Number:
MFCD22417091
IUPAC Name:
2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
InChI:
InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
InChI Key:
AAAQFGUYHFJNHI-SFHVURJKSA-N
SMILES:
CCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC
UNII:
5QIO6SRZ2R
Properties
Complexity:
639  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
423.146g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
423.901g/mol
Monoisotopic Mass:
423.146g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Inhibition of histone H3K27 demethylases selectively modulates inflammatory phenotypes of natural killer cells. The Journal of biological chemistry 20180216
The BET inhibitor JQ1 selectively impairs tumour response to hypoxia and downregulates CA9 and angiogenesis in triple negative breast cancer. Oncogene 20170105
MCM5 as a target of BET inhibitors in thyroid cancer cells. Endocrine-related cancer 20160401
CCAT1 is an enhancer-templated RNA that predicts BET sensitivity in colorectal cancer. The Journal of clinical investigation 20160201
BET inhibitor resistance emerges from leukaemia stem cells. Nature 20150924
An epigenomic approach to therapy for tamoxifen-resistant breast cancer. Cell research 20140701
Targeting STAT5 in hematologic malignancies through inhibition of the bromodomain and extra-terminal (BET) bromodomain protein BRD2. Molecular cancer therapeutics 20140501
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
Cancer research: Open ambition. Nature 20120809
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
BET bromodomain inhibition as a therapeutic strategy to target c-Myc. Cell 20110916
Liver X receptors as regulators of macrophage inflammatory and metabolic pathways. Biochimica et biophysica acta 20110801
Discovery and characterization of small molecule inhibitors of the BET family bromodomains. Journal of medicinal chemistry 20110609
Suppression of inflammation by a synthetic histone mimic. Nature 20101223
Properties