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521-73-3 | ISOQUINOLINE-1,3,4-TRIONE
CAS No: 521-73-3 Catalog No: AG00DELE MDL No:
Product Description
Catalog Number:
AG00DELE
Chemical Name:
ISOQUINOLINE-1,3,4-TRIONE
CAS Number:
521-73-3
IUPAC Name:
isoquinoline-1,3,4-trione
InChI:
InChI=1S/C9H5NO3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13/h1-4H,(H,10,12,13)
InChI Key:
YIOFGHHAURBGSJ-UHFFFAOYSA-N
UNII:
BM68CV5X6Q
NSC Number:
407248
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.027g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.143g/mol
Monoisotopic Mass:
175.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione. | Organic & biomolecular chemistry 20120514 |
| Methyl 2,2'-dimethyl-4'-[2-(methyl-sulfan-yl)eth-yl]-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[isoquinoline-4,5'-oxazole]-4'-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20110901 |
| Methyl 2-acetamido-2-(4-hy-droxy-2-methyl-1,3-dioxo-1,2,3,4-tetra-hydro-isoquinolin-4-yl)-4-methyl-penta-noate. | Acta crystallographica. Section E, Structure reports online 20110701 |
| 1-Benzyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione. | Acta crystallographica. Section E, Structure reports online 20110601 |
| 5-Meth-oxy-1,2',3-trimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione. | Acta crystallographica. Section E, Structure reports online 20110601 |
| Methyl 4'-benzyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[iso-quinoline-4,5'-oxazole]-4'-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20110601 |
| Methyl 4'-isobutyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[iso-quinoline-4,5'-oxazole]-4'-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20110601 |
| Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles. | Organic & biomolecular chemistry 20110521 |
| (1S*,4'S*,5R*)-1-Isopropyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione. | Acta crystallographica. Section E, Structure reports online 20110501 |
| (1S*,4'S*,5R*)-1-Isobutyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione. | Acta crystallographica. Section E, Structure reports online 20110501 |
| Redox-based inactivation of cysteine cathepsins by compounds containing the 4-aminophenol moiety. | PloS one 20110101 |
| Photoinduced tandem reactions of isoquinoline-1,3,4-trione with alkynes to build aza-polycycles. | The Journal of organic chemistry 20100507 |
| 4-[(2,4-Dimethyl-1,3-oxazol-5-yl)meth-yl]-4-hydr-oxy-2-methyl-isoquinoline-1,3(2H,4H)-dione. | Acta crystallographica. Section E, Structure reports online 20100401 |
| 4-[(2,4-Dimethyl-thia-zol-5-yl)meth-yl]-4-hydr-oxy-2-methyl-isoquinoline-1,3(2H,4H)-dione. | Acta crystallographica. Section E, Structure reports online 20100401 |
| Combinatorial protocol in multiple linear regression/partial least-squares directed rationale for the caspase-3 inhibition activity of isoquinoline-1,3,4-trione derivatives. | SAR and QSAR in environmental research 20100101 |
| Isoquinoline-1,3,4-trione derivatives inactivate caspase-3 by generation of reactive oxygen species. | The Journal of biological chemistry 20081031 |
| Novel irreversible caspase-1 inhibitor attenuates the maturation of intracellular interleukin-1beta. | Biochemistry and cell biology = Biochimie et biologie cellulaire 20070201 |
| Isoquinoline-1,3,4-trione and its derivatives attenuate beta-amyloid-induced apoptosis of neuronal cells. | The FEBS journal 20061101 |
| Design, synthesis, and biological evaluation of isoquinoline-1,3,4-trione derivatives as potent caspase-3 inhibitors. | Journal of medicinal chemistry 20060309 |
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