Home Sulfos N-[(Z)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide

N-[(Z)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide

CAS No.:
1201670-42-9
Catalog Number:
AG01DDME
Molecular Formula:
C16H14BrN5O4S
Molecular Weight:
452.2825
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Product Description
Catalog Number:
AG01DDME
Chemical Name:
N-[(Z)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CAS Number:
1201670-42-9
Molecular Formula:
C16H14BrN5O4S
Molecular Weight:
452.2825
MDL Number:
MFCD12407411
IUPAC Name:
N-[(Z)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
InChI:
InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9-
InChI Key:
QTHCAAFKVUWAFI-OCKHKDLRSA-N
SMILES:
Brc1ccc2n(c1)c(/C=N\N(S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])C)cn2
UNII:
NT63XAU01R
Properties
Complexity:
679  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
450.995g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.283g/mol
Monoisotopic Mass:
450.995g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
PI3K p110α/Akt signaling negatively regulates secretion of the intestinal peptide neurotensin through interference of granule transport. Molecular endocrinology (Baltimore, Md.) 20120801
Definition of the binding mode of a new class of phosphoinositide 3-kinase α-selective inhibitors using in vitro mutagenesis of non-conserved amino acids and kinetic analysis. The Biochemical journal 20120615
Suppression of PDGF-induced PI3 kinase activity by imatinib promotes adipogenesis and adiponectin secretion. Journal of molecular endocrinology 20120601
Characterization of molecular recognition of phosphoinositide-3-kinase α inhibitor through molecular dynamics simulation. Journal of molecular modeling 20120501
Effects of acutely inhibiting PI3K isoforms and mTOR on regulation of glucose metabolism in vivo. The Biochemical journal 20120215
Phosphoinositide 3-kinase signaling is critical for ErbB3-driven breast cancer cell motility and metastasis. Oncogene 20120209
Isoform-selective inhibition of phosphoinositide 3-kinase: identification of a new region of nonconserved amino acids critical for p110α inhibition. Molecular pharmacology 20111001
Phosphatidylinositol 3-kinase isoform-specific effects in airway mesenchymal cell function. The Journal of pharmacology and experimental therapeutics 20110501
Synthesis and biological evaluation of sulfonylhydrazone-substituted imidazo[1,2-a]pyridines as novel PI3 kinase p110alpha inhibitors. Bioorganic & medicinal chemistry 20070901
A pharmacological map of the PI3-K family defines a role for p110alpha in insulin signaling. Cell 20060519
Properties