sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Gsk525768a

Gsk525768a

CAS No.:
1260530-25-3
Catalog Number:
AG009CBY
Molecular Formula:
C22H22ClN5O2
Molecular Weight:
423.8954
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$998
- +
50mg
99%
1 week
United States
$2626
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG009CBY
Chemical Name:
Gsk525768a
CAS Number:
1260530-25-3
Molecular Formula:
C22H22ClN5O2
Molecular Weight:
423.8954
MDL Number:
MFCD25372039
IUPAC Name:
2-[(4R)-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-/m1/s1
InChI Key:
AAAQFGUYHFJNHI-GOSISDBHSA-N
SMILES:
CCNC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC
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
MCM5 as a target of BET inhibitors in thyroid cancer cells. Endocrine-related cancer 20160401
BET inhibitor resistance emerges from leukaemia stem cells. Nature 20150924
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
Cancer research: Open ambition. Nature 20120809
BET bromodomain inhibition as a therapeutic strategy to target c-Myc. Cell 20110916
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