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352017-52-8 | 2-(2,4-difluorophenyl)-4,5,6,7-tetrafluoro-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 352017-52-8 Catalog No: AG01FKKI MDL No:
Product Description
Catalog Number:
AG01FKKI
Chemical Name:
2-(2,4-difluorophenyl)-4,5,6,7-tetrafluoro-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
352017-52-8
Molecular Formula:
C14H3F6NO2
Molecular Weight:
331.1695
IUPAC Name:
2-(2,4-difluorophenyl)-4,5,6,7-tetrafluoroisoindole-1,3-dione
InChI:
InChI=1S/C14H3F6NO2/c15-4-1-2-6(5(16)3-4)21-13(22)7-8(14(21)23)10(18)12(20)11(19)9(7)17/h1-3H
InChI Key:
YSJCNZQEYLMVPJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)N1C(=O)c2c(C1=O)c(F)c(c(c2F)F)F
NSC Number:
726796
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.007g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.173g/mol
Monoisotopic Mass:
331.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Preformulation study of NSC-726796. | AAPS PharmSciTech 20120601 |
| Polyunsaturated fatty acids synergize with lipid droplet binding thalidomide analogs to induce oxidative stress in cancer cells. | Lipids in health and disease 20100101 |
| 2-[N-(2,4-Difluoro-phen-yl)carbamo-yl]-3,4,5,6-tetra-fluoro-benzoic acid. | Acta crystallographica. Section E, Structure reports online 20091101 |
| Combinatorial antileukemic disruption of oxidative homeostasis and mitochondrial stability by the redox reactive thalidomide 2-(2,4-difluoro-phenyl)-4,5,6,7-tetrafluoro-1H-isoindole-1,3(2H)-dione (CPS49) and flavopiridol. | Molecular pharmacology 20080901 |
| Importance of the stress kinase p38alpha in mediating the direct cytotoxic effects of the thalidomide analogue, CPS49, in cancer cells and endothelial cells. | Clinical cancer research : an official journal of the American Association for Cancer Research 20060601 |
| Antimyeloma activity of two novel N-substituted and tetraflourinated thalidomide analogs. | Leukemia 20050701 |
| Antitumor effects of thalidomide analogs in human prostate cancer xenografts implanted in immunodeficient mice. | Clinical cancer research : an official journal of the American Association for Cancer Research 20040615 |
| Comparative molecular field analysis and comparative molecular similarity indices analysis of thalidomide analogues as angiogenesis inhibitors. | Journal of medicinal chemistry 20040422 |
| Aza analogues of thalidomide: synthesis and evaluation as inhibitors of tumor necrosis factor-alpha production in vitro. | Bioorganic & medicinal chemistry 20010401 |
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