Home Halogens 3-Isoxazolepropanenitrile, α-[2-(3-chlorophenyl)hydrazinylidene]-5-(1,1-dimethylethyl)-β-oxo-

3-Isoxazolepropanenitrile, α-[2-(3-chlorophenyl)hydrazinylidene]-5-(1,1-dimethylethyl)-β-oxo-

CAS No.:
263707-16-0
Catalog Number:
AG002SX8
Molecular Formula:
C16H15ClN4O2
Molecular Weight:
330.7689
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$91
- +
5mg
98%
1 week
United States
$147
- +
10mg
98%
1 week
United States
$203
- +
25mg
≥95%
1 week
United States
$404
- +
50mg
98%
1 week
United States
$598
- +
100mg
98%
1 week
United States
$876
- +
Product Description
Catalog Number:
AG002SX8
Chemical Name:
3-Isoxazolepropanenitrile, α-[2-(3-chlorophenyl)hydrazinylidene]-5-(1,1-dimethylethyl)-β-oxo-
CAS Number:
263707-16-0
Molecular Formula:
C16H15ClN4O2
Molecular Weight:
330.7689
MDL Number:
MFCD00109218
IUPAC Name:
(1E)-2-(5-tert-butyl-1,2-oxazol-3-yl)-N-(3-chloroanilino)-2-oxoethanimidoyl cyanide
InChI:
InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+
InChI Key:
DXEATJQGQHDURZ-DEDYPNTBSA-N
SMILES:
N#CC(=NNc1cccc(c1)Cl)C(=O)c1noc(c1)C(C)(C)C
Properties
Complexity:
520  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
330.088g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
330.772g/mol
Monoisotopic Mass:
330.088g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Literature
Title Journal
Role of Exchange Protein Directly Activated by Cyclic AMP Isoform 1 in Energy Homeostasis: Regulation of Leptin Expression and Secretion in White Adipose Tissue. Molecular and cellular biology 20161001
Recent advances in the discovery of small molecules targeting exchange proteins directly activated by cAMP (EPAC). Journal of medicinal chemistry 20140508
Exchange protein directly activated by cAMP plays a critical role in bacterial invasion during fatal rickettsioses. Proceedings of the National Academy of Sciences of the United States of America 20131126
A novel EPAC-specific inhibitor suppresses pancreatic cancer cell migration and invasion. Molecular pharmacology 20130101
[Differences in the responses of taste receptors to organic and inorganic acids with changes in the concentration of bicarbonate in the solution]. Fiziologicheskii zhurnal SSSR imeni I. M. Sechenova 19750601
Properties