Page last updated: 2024-12-10

1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(1-phthalazinyloxy)ethanone

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

The chemical name 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(1-phthalazinyloxy)ethanone describes a complex organic molecule. Let's break down its structure and potential importance:

**Structure:**

* **Pyrrole Ring:** The core of the molecule is a pyrrole ring (C4H4NH), a five-membered ring with a nitrogen atom.
* **Substituents on Pyrrole:**
* **2,5-dimethyl:** This means there are two methyl groups (CH3) attached to the pyrrole ring at positions 2 and 5.
* **1-prop-2-enyl:** This indicates a prop-2-enyl group (CH2=CH-CH2) attached to the pyrrole at position 1. This group contains a double bond, making it an alkene.
* **Ethanoate Group:** The molecule has an ethanoate group (-COCH3) attached to the pyrrole.
* **Phthalazinyloxy Group:** Attached to the ethanoate group is a phthalazinyloxy group, which contains a phthalazine ring (C8H6N2) with an oxygen atom connected to the ring.

**Potential Importance for Research:**

Without additional context, it's difficult to definitively state the specific importance of this molecule for research. However, given its structure, it could be relevant in several areas:

* **Drug Discovery:** The presence of the pyrrole ring and phthalazinyloxy group suggests potential pharmacological activity. Many drugs containing these groups are known to exhibit diverse biological effects, including anti-inflammatory, anti-cancer, and antimicrobial properties.
* **Materials Science:** The alkene group in the molecule could be used for polymerization reactions, leading to the creation of new polymers with specific properties.
* **Organic Synthesis:** This molecule could serve as a building block or intermediate in the synthesis of more complex and potentially useful molecules.

**To understand its specific importance, you would need more information, including:**

* **The research context:** What is the specific research question or project?
* **Biological activity:** Does the molecule exhibit any biological effects?
* **Synthesis:** How is the molecule synthesized?
* **Applications:** Are there any known or potential applications of the molecule?

**Please provide additional details to get a more specific answer.**

Cross-References

ID SourceID
PubMed CID2997979
CHEMBL ID1350195
CHEBI ID121109

Synonyms (10)

Synonym
MLS000056452
smr000067860
CHEBI:121109
1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-phthalazin-1-yloxyethanone
HMS2339P16
CHEMBL1350195
Q27209352
1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(1-phthalazinyloxy)ethanone
Z25621466
AKOS033944651
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
phthalazines
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (16)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Ferritin light chainEquus caballus (horse)Potency28.18385.623417.292931.6228AID485281
LuciferasePhotinus pyralis (common eastern firefly)Potency23.36210.007215.758889.3584AID411; AID588342
BRCA1Homo sapiens (human)Potency2.23870.89137.722525.1189AID624202
ATAD5 protein, partialHomo sapiens (human)Potency9.26100.004110.890331.5287AID504466; AID504467
TDP1 proteinHomo sapiens (human)Potency7.75360.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency8.91250.180013.557439.8107AID1468
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency28.18380.011212.4002100.0000AID1030
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency35.48130.707936.904389.1251AID504333
P53Homo sapiens (human)Potency10.00000.07319.685831.6228AID504706
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency1.41250.01262.451825.0177AID485313
cellular tumor antigen p53 isoform aHomo sapiens (human)Potency19.95260.316212.443531.6228AID902
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency1.29950.00419.984825.9290AID504444
ras-related protein Rab-9AHomo sapiens (human)Potency2.81840.00022.621531.4954AID485297
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency112.20200.050127.073689.1251AID588590
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency6.30960.00798.23321,122.0200AID2546
survival motor neuron protein isoform dHomo sapiens (human)Potency12.58930.125912.234435.4813AID1458
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. 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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. 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.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. 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.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]