You are likely referring to **1,3-dihydro-2H-isoquinolin-4-one**, also known as **1,3(2H,4H)-isoquinolinedione**.
**Structure:**
This compound is a heterocyclic molecule containing a benzene ring fused to a six-membered ring containing a nitrogen atom and a carbonyl group at position 4.
**Importance in Research:**
1,3-dihydro-2H-isoquinolin-4-one is an important molecule in research for several reasons:
* **Pharmacology:** It serves as a **scaffold** for developing new drugs. Its structure allows for various modifications and substitutions, potentially leading to compounds with diverse pharmacological properties.
* **Anti-cancer agents:** Derivatives have shown promising activity against various cancer cell lines.
* **Anti-inflammatory agents:** Some derivatives exhibit anti-inflammatory effects.
* **Neuroprotective agents:** It is being explored for its potential to protect neurons from damage.
* **Synthetic chemistry:** The molecule is a versatile building block for synthesizing more complex organic compounds. It can be readily functionalized through various reactions, enabling the creation of libraries of potential drug candidates.
* **Material science:** Some derivatives possess interesting optical and electronic properties, potentially making them useful for applications like organic electronics.
**Specific research areas:**
* **Studies on its synthesis:** Exploring efficient and scalable synthetic methods for the compound and its derivatives.
* **Structure-activity relationship studies:** Investigating how modifications to the molecule affect its biological activity.
* **Development of new drug candidates:** Designing and testing new compounds based on the 1,3(2H,4H)-isoquinolinedione scaffold.
Overall, 1,3-dihydro-2H-isoquinolin-4-one is a valuable compound for research due to its versatility in synthesis and its potential for pharmaceutical and material science applications.
**Please note:** It's crucial to consult scientific literature and databases for up-to-date information on specific research areas and applications of this compound.
1,3(2H,4H)-isoquinolinedione: structure in first source
ID Source | ID |
---|---|
PubMed CID | 349435 |
CHEMBL ID | 1210769 |
SCHEMBL ID | 422023 |
MeSH ID | M0446928 |
Synonym |
---|
isoquinoline-1,3(2h,4h)-dione |
EN300-15352 |
CHEMBL1210769 , |
1,4h)-isoquinolinedione |
mls003373813 , |
homophthalimide |
nsc-409146 |
nsc409146 |
4456-77-3 |
1,3,4-tetrahydro-1,3-dioxoisoquinoline |
HMS1734A04 |
AKOS001174017 |
4h-isoquinoline-1,3-dione |
A18787 |
1,2,3,4-tetrahydroisoquinoline-1,3-dione |
bdbm50322995 |
cid_349435 |
smr002048609 |
2,4-dihydroisoquinoline-1,3-dione |
STL214583 |
1,3[2h,4h]-isoquinolinedione |
FT-0647852 |
AM20061083 |
AB05280 |
SCHEMBL422023 |
sr-01000902235 |
SR-01000902235-2 |
J-503856 |
J-650194 |
1,2,3,4-tetrahydro-1,3-dioxoisoquinoline |
1,3(2h,4h)-isoquinolinedione |
1,2,3,4-4h-isoquinolin-1,3-dione |
DTXSID50325194 |
CS-W006004 |
mfcd00234966 |
Z133528266 |
AS-18364 |
BBL100072 |
Y10382 |
unii-36c8tut4r4 |
36c8tut4r4 , |
2h,4h-1,3-isoquinolinedione |
SY067196 |
Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
TDP1 protein | Homo sapiens (human) | Potency | 1.3081 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 56.2341 | 6.3096 | 60.2008 | 112.2020 | AID720709 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 22.3872 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) | Potency | 42.2841 | 3.9811 | 46.7448 | 112.2020 | AID720708 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
sentrin-specific protease 8 | Homo sapiens (human) | IC50 (µMol) | 0.3714 | 0.0408 | 18.9292 | 94.8000 | AID624322; AID651559 |
Tyrosyl-DNA phosphodiesterase 2 | Homo sapiens (human) | IC50 (µMol) | 25.0000 | 0.9700 | 2.2160 | 4.1000 | AID1293599 |
Mitogen-activated protein kinase kinase kinase 14 | Homo sapiens (human) | IC50 (µMol) | 51.0000 | 0.2440 | 1.2720 | 2.3000 | AID493445 |
putative polyprotein | IC50 (µMol) | 0.4703 | 0.2508 | 3.8283 | 8.4620 | AID720577; AID720578; AID743296 | |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Caspase 6, apoptosis-related cysteine peptidase | Homo sapiens (human) | AC50 | 1.2200 | 0.0636 | 11.2358 | 44.9700 | AID720632 |
caspase-3 | Homo sapiens (human) | AC50 | 0.7400 | 0.7400 | 14.3575 | 31.7200 | AID743291 |
Caspase-7 | Homo sapiens (human) | AC50 | 1.3200 | 0.3710 | 17.0491 | 68.4900 | AID743295 |
Caspase-9 | Homo sapiens (human) | AC50 | 1.3400 | 0.2140 | 0.6237 | 1.3400 | AID743293 |
Caspase-8 | Homo sapiens (human) | AC50 | 1.0900 | 0.3100 | 12.4515 | 47.9700 | AID743294 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors. |
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21 | Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. |
AID1293599 | Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay | 2016 | Journal of medicinal chemistry, Mar-24, Volume: 59, Issue:6 | Isoquinoline-1,3-diones as Selective Inhibitors of Tyrosyl DNA Phosphodiesterase II (TDP2). |
AID493445 | Inhibition of human recombinant GST-fused NIK expressed in Sf9 cells after 60 mins by radiometric protein kinase assay | 2010 | Bioorganic & medicinal chemistry letters, Aug-01, Volume: 20, Issue:15 | NF-kappaB inducing kinase (NIK) inhibitors: identification of new scaffolds using virtual screening. |
AID1293601 | Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded oligonucleotide DNA containing 3'-phophotyrosine (N14Y) as substrate at 111 uM incubated for 15 mins by PAGE assay | 2016 | Journal of medicinal chemistry, Mar-24, Volume: 59, Issue:6 | Isoquinoline-1,3-diones as Selective Inhibitors of Tyrosyl DNA Phosphodiesterase II (TDP2). |
AID493444 | Inhibition of human recombinant GST-fused NIK expressed in Sf9 cells at 50 uM after 60 mins by radiometric protein kinase assay | 2010 | Bioorganic & medicinal chemistry letters, Aug-01, Volume: 20, Issue:15 | NF-kappaB inducing kinase (NIK) inhibitors: identification of new scaffolds using virtual screening. |
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 2 (16.67) | 29.6817 |
2010's | 9 (75.00) | 24.3611 |
2020's | 1 (8.33) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.
| This Compound (11.90) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 0 (0.00%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 12 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |