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Pfi-1

CAS No.:
1403764-72-6
Catalog Number:
AG009CE8
Molecular Formula:
C16H17N3O4S
Molecular Weight:
347.3889
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$98
- +
10mg
99%
1 week
United States
$168
- +
50mg
99%
1 week
United States
$362
- +
100mg
99%
1 week
United States
$612
- +
Product Description
Catalog Number:
AG009CE8
Chemical Name:
Pfi-1
CAS Number:
1403764-72-6
Molecular Formula:
C16H17N3O4S
Molecular Weight:
347.3889
MDL Number:
MFCD22580416
IUPAC Name:
2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
InChI:
InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
InChI Key:
TXZPMHLMPKIUGK-UHFFFAOYSA-N
SMILES:
COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)N2)C
Properties
Complexity:
562  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.094g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
347.389g/mol
Monoisotopic Mass:
347.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
BRD4 is a novel therapeutic target for liver fibrosis. Proceedings of the National Academy of Sciences of the United States of America 20151222
Brd4 is essential for IL-1β-induced inflammation in human airway epithelial cells. PloS one 20140101
Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. Journal of medicinal chemistry 20130425
Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit. Journal of medicinal chemistry 20121126
Properties