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1232410-49-9 | 2-Pyrazinecarboxamide, 3-amino-6-[4-(methylsulfonyl)phenyl]-N-phenyl-
CAS No: 1232410-49-9 Catalog No: AG000K81 MDL No:MFCD19443686
Product Description
Catalog Number:
AG000K81
Chemical Name:
2-Pyrazinecarboxamide, 3-amino-6-[4-(methylsulfonyl)phenyl]-N-phenyl-
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 |
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