cyclobutane-1,1-dicarboxylic acid profile

Cyclobutane-1,1-dicarboxylic acid is a bicyclic dicarboxylic acid. It is a white solid with a melting point of 138-140 °C. It is soluble in water and ethanol. The synthesis of cyclobutane-1,1-dicarboxylic acid involves a multi-step process starting from 1,1-dibromoethane and diethyl malonate. Cyclobutane-1,1-dicarboxylic acid has been studied for its potential use in the synthesis of pharmaceuticals and other organic compounds. It is also a useful reagent in organic chemistry, as it can be used to introduce a cyclobutane ring into a molecule. It is an important building block in organic chemistry, especially in the synthesis of complex molecules, such as natural products. The research on cyclobutane-1,1-dicarboxylic acid focuses on its synthesis, reactivity, and applications in organic chemistry.'
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ID Source	ID
PubMed CID	2568
CHEMBL ID	1162546
CHEBI ID	35691
SCHEMBL ID	127199

Synonym
nsc 22073
pv866vzu2u ,
unii-pv866vzu2u
einecs 226-651-2
cyclobutane-1,1-dicarboxylic acid
nsc-22073
nsc22073
5445-51-2
1,1-cyclobutanedicarboxylic acid
h2cbdca
CHEBI:35691 ,
inchi=1/c6h8o4/c7-4(8)6(5(9)10)2-1-3-6/h1-3h2,(h,7,8)(h,9,10
cyclobutane-1,1-dicarboxylic acid, 99%
C-9000
MLS001336051
MLS001336052
smr000857344
C0769
AKOS000546081
1,1-cyclobutanedicarboxylate
CHEMBL1162546
STK328153
A7909
NCGC00247020-01
1,1-cyclobutanedicarboxylicacid
HMS2233C03
AM62799
FT-0606076
zps ,
HMS3370K21
SCHEMBL127199
cyclobutanedicarboxylic acid
DTXSID2063892
TS-01877
AC-27694
mfcd00001325
CS-D1152
carboplatin impurity b (cyclobutane-1,1-dicarboxylic acid)
BCP22658
1,1-dicarboxycyclobutane
Q27116567
EN300-90454
PB43025
cyclobutane-1,1-dicarboxylicacid
1-carboxycyclobutanecarboxylic acid
carboplatin impurity b [ep impurity]
PD159595
Z1205493599

Class	Description
cyclobutanedicarboxylic acid
[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	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, Beta-lactamase	Escherichia coli K-12	Potency	4.4668	0.0447	17.8581	100.0000	AID485294
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	15.8489	0.0355	20.9770	89.1251	AID504332
[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)
Thioredoxin reductase 1, cytoplasmic	Rattus norvegicus (Norway rat)	IC50 (µMol)	200.0000	0.2720	1.8260	6.0000	AID388700
[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)
twin arginine protein translocation system - TatA protein	Escherichia coli str. K-12 substr. MG1655	AC50	45.8560	0.7070	10.9151	45.8560	AID504941
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (17)

Assay ID	Title	Year	Journal	Article
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.
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.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
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.
AID504796	Counterscreen for activators of the Protein Kinase A-R2B (PKA-R2B) complex: fluorescence polarization-based biochemical high throughput screening assay to identify fluorescence polarization assay artifacts	2006	Analytical chemistry, Dec-15, Volume: 78, Issue:24	Assay principle for modulators of protein-protein interactions and its application to non-ATP-competitive ligands targeting protein kinase A.
AID504797	Fluorescence polarization-based biochemical high throughput confirmation assay for activators of the Protein Kinase A-R2B (PKA-R2B) complex	2006	Analytical chemistry, Dec-15, Volume: 78, Issue:24	Assay principle for modulators of protein-protein interactions and its application to non-ATP-competitive ligands targeting protein kinase A.
AID388700	Inhibition of rat TrxR1	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Emerging protein targets for anticancer metallodrugs: inhibition of thioredoxin reductase and cathepsin B by antitumor ruthenium(II)-arene compounds.
AID388701	Inhibition of rat TrxR2	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Emerging protein targets for anticancer metallodrugs: inhibition of thioredoxin reductase and cathepsin B by antitumor ruthenium(II)-arene compounds.
[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	3 (42.86)	29.6817
2010's	3 (42.86)	24.3611
2020's	1 (14.29)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

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	7 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
flurbiprofen Flurbiprofen: An anti-inflammatory analgesic and antipyretic of the phenylalkynoic acid series. It has been shown to reduce bone resorption in periodontal disease by inhibiting CARBONIC ANHYDRASE.. flurbiprofen : A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain.	2.03	1	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
quinethazone quinethazone: RN given for cpd without isomeric designation. quinethazone : A member of the class of quinazolines that is quinazolin-4-one substituted at positions 2, 6 and 7 by ethyl, sulfamoyl and chloro groups respectively; a thiazide-like diuretic used to treat hypertension.	2.03	1	quinazolines	antihypertensive agent; diuretic
n,n,n',n'-tetramethyl-4,4'-methylenedianiline N,N,N',N'-tetramethyl-4,4'-methylenedianiline: structure given in first source	2.03	1	diarylmethane
sulfan blue sulfan blue: widely used to visualize lymph vessels for lymphography; structure	2.03	1	organic molecular entity
2-thymotic acid 2-thymotic acid: RN given refers to parent cpd; structure	2.03	1	monoterpenoid
buspirone hydrochloride buspirone hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of buspirone and hydrogen chloride.	2.03	1	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
e-250 [no description available]	2.03	1
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol: structure in first source	2.03	1	piperidines
ici 204448 [no description available]	2.03	1
tosifen [no description available]	2.03	1
2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide [no description available]	2.03	1	aromatic ether
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamide [no description available]	2.03	1	aromatic amide; furans
2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester [no description available]	2.03	1	isopropyl ester; triazoles
5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole [no description available]	2.03	1	oxadiazole; ring assembly
pseudoginsenoside f11 [no description available]	2.03	1
8-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thione [no description available]	2.03	1	benzenes
N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic acid phenyl ester [no description available]	2.03	1	piperazines
2-[[2-(3,5-dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]amino]ethanol [no description available]	2.03	1	aminopyrimidine
2-chloro-N-(2-phenyl-5-propyl-3-pyrazolyl)acetamide [no description available]	2.03	1	pyrazoles; ring assembly
2-[[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]isoindole-1,3-dione [no description available]	2.03	1	phthalimides
5-(2-oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile [no description available]	2.03	1	oxazole
2-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide [no description available]	2.03	1	amino acid amide
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester [no description available]	2.03	1	oxopurine
3-(2-methoxyphenyl)-2-methyl-4-oxo-1H-quinazoline-2-carboxylic acid methyl ester [no description available]	2.03	1	quinazolines
4-ethylbenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester [no description available]	2.03	1	benzoate ester
N-(3,4-dimethylphenyl)-4-oxo-3,10-dihydro-2H-pyrimido[1,2-a]benzimidazole-2-carboxamide [no description available]	2.03	1	organonitrogen compound; organooxygen compound
nalbuphine hydrochloride [no description available]	2.03	1	hydrochloride
(2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide [no description available]	2.03	1	(trifluoromethyl)benzenes
2-imino-8-methyl-5-oxo-1-(2-oxolanylmethyl)-N-(2-phenylethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide [no description available]	2.03	1	pyridopyrimidine
2-[[4-(3-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol [no description available]	2.03	1	methoxybenzenes; substituted aniline
bucladesine Bucladesine: A cyclic nucleotide derivative that mimics the action of endogenous CYCLIC AMP and is capable of permeating the cell membrane. It has vasodilator properties and is used as a cardiac stimulant. (From Merck Index, 11th ed). bucladesine : A 3',5'-cyclic purine nucleotide that is the 2'-butanoate ester and 6-N-butanoyl derivative of 3',5'-cyclic AMP.	2.03	1	3',5'-cyclic purine nucleotide
cyclic amp, monosodium salt [no description available]	2.03	1
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide [no description available]	2.03	1	acetamides; anilide
3-(2,5-dimethoxyphenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine [no description available]	2.03	1	triazoles
8-bromocyclic gmp, sodium salt sodium 8-bromo-3',5'-cyclic GMP : An organic sodium salt having 8-bromoguanosine 3',5'-cyclic phosphate as the counterion. A membrane permeable cGMP analogue that activates protein kinase G (PKG). It is 4.3-fold more potent than cGMP in activating PKG1alpha and promotes relaxation of tracheal and vascular smooth muscle tissue in vitro.	2.03	1	organic sodium salt	muscle relaxant; protein kinase G agonist

Condition	Indicated	Relationship Strength	Studies	Trials
Innate Inflammatory Response [description not available]	0	2.05	1	0
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	0	2.05	1	0

cyclobutane-1,1-dicarboxylic acid

Cross-References

Synonyms (48)

Drug Classes (1)

Protein Targets (5)

Potency Measurements

Inhibition Measurements

Other Measurements

Bioassays (17)

Research

Studies (7)

Market Indicators

Research Demand Index: 26.95

Study Types

cyclobutane-1,1-dicarboxylic acid

Cross-References

Synonyms (48)

Drug Classes (1)

Protein Targets (5)

Potency Measurements

Inhibition Measurements

Other Measurements

Bioassays (17)

Research

Studies (7)

Market Indicators

Research Demand Index: 26.95

Study Types

Related Drugs (35)

Related Conditions (2)