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Home Sulfos 3-Amino-6-(4-methanesulfonylphenyl)-N-phenylpyrazine-2-carboxamide

3-Amino-6-(4-methanesulfonylphenyl)-N-phenylpyrazine-2-carboxamide

CAS No.:
1232410-49-9
Catalog Number:
AG000K81
Molecular Formula:
C18H16N4O3S
Molecular Weight:
368.4096
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
98%
1 week
United States
$126
- +
10mg
98%
1 week
United States
$175
- +
25mg
98%
1 week
United States
$265
- +
50mg
98%
1 week
United States
$404
- +
100mg
98%
1 week
United States
$682
- +
Product Description
Catalog Number:
AG000K81
Chemical Name:
3-Amino-6-(4-methanesulfonylphenyl)-N-phenylpyrazine-2-carboxamide
CAS Number:
1232410-49-9
Molecular Formula:
C18H16N4O3S
Molecular Weight:
368.4096
MDL Number:
MFCD19443686
IUPAC Name:
3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
InChI:
InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)
InChI Key:
DUIHHZKTCSNTGM-UHFFFAOYSA-N
SMILES:
O=C(c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C)Nc1ccccc1
Properties
Complexity:
578  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.094g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
368.411g/mol
Monoisotopic Mass:
368.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
ATR inhibitors VE-821 and VX-970 sensitize cancer cells to topoisomerase i inhibitors by disabling DNA replication initiation and fork elongation responses. Cancer research 20141201
The novel ATR inhibitor VE-821 increases sensitivity of pancreatic cancer cells to radiation and chemotherapy. Cancer biology & therapy 20120901
Modulation of DNA repair by pharmacological inhibitors of the PIKK protein kinase family. Bioorganic & medicinal chemistry letters 20120901
Discovery of potent and selective inhibitors of ataxia telangiectasia mutated and Rad3 related (ATR) protein kinase as potential anticancer agents. Journal of medicinal chemistry 20110414
Selective killing of ATM- or p53-deficient cancer cells through inhibition of ATR. Nature chemical biology 20110413
Properties