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Home > Pyridines > 173529-46-9
173529-46-9 | Acetamide, N-[(4-methoxyphenyl)sulfonyl]-N-[2-[(1E)-2-(1-oxido-4-pyridinyl)ethenyl]phenyl]-
CAS No: 173529-46-9 Catalog No: AG001Z05 MDL No:MFCD12756255
Product Description
Catalog Number:
AG001Z05
Chemical Name:
Acetamide, N-[(4-methoxyphenyl)sulfonyl]-N-[2-[(1E)-2-(1-oxido-4-pyridinyl)ethenyl]phenyl]-
CAS Number:
173529-46-9
Molecular Formula:
C22H20N2O5S
Molecular Weight:
424.4696
MDL Number:
MFCD12756255
IUPAC Name:
N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]acetamide
InChI:
InChI=1S/C22H20N2O5S/c1-17(25)24(30(27,28)21-11-9-20(29-2)10-12-21)22-6-4-3-5-19(22)8-7-18-13-15-23(26)16-14-18/h3-16H,1-2H3/b8-7+
InChI Key:
OCKHRKSTDPOHEN-BQYQJAHWSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N(c1ccccc1/C=C/c1cc[n+](cc1)[O-])C(=O)C
UNII:
94E9UR0RFR
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
424.109g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.471g/mol
Monoisotopic Mass:
424.109g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Polo-like kinase (PLK) inhibitors in preclinical and early clinical development in oncology. | The oncologist 20090601 |
| A phase I pharmacokinetic study of HMN-214, a novel oral stilbene derivative with polo-like kinase-1-interacting properties, in patients with advanced solid tumors. | Clinical cancer research : an official journal of the American Association for Cancer Research 20060901 |
| What's new in pancreatic cancer treatment pipeline? | Best practice & research. Clinical gastroenterology 20060401 |
| In vivo antitumor activity of a novel sulfonamide, HMN-214, against human tumor xenografts in mice and the spectrum of cytotoxicity of its active metabolite, HMN-176. | Investigational new drugs 20031101 |
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