n,n'-dibenzoylcystine profile

N,N'-dibenzoylcystine is a derivative of the amino acid cystine. It has been investigated for its potential applications in various fields, including:
* **Synthesis:** N,N'-dibenzoylcystine can be synthesized through the reaction of cystine with benzoyl chloride in the presence of a base.
* **Pharmacology:** Studies have explored its potential as a therapeutic agent due to its antioxidant properties and ability to inhibit the activity of certain enzymes.
* **Materials Science:** Its unique structural features and potential for self-assembly have led to investigations into its use in the development of novel materials.
* **Importance:** N,N'-dibenzoylcystine serves as a valuable model compound for studying the properties of cystine derivatives and their interactions with biological systems.
* **Research Focus:** Current research on N,N'-dibenzoylcystine focuses on its pharmacological activities, its potential applications in materials science, and its role in understanding the properties of cystine derivatives.

N,N'-dibenzoylcystine: a low molecular weight gelator; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	91286
CHEMBL ID	264425
SCHEMBL ID	6411060
MeSH ID	M0484603

Synonym
smr000387015
MLS001049003
3,3'-disulfanediylbis{2-[(phenylcarbonyl)amino]propanoic acid}
nsc-114532
nsc114532
CHEMBL264425 ,
bdbm50179184
n,n'-dibenzoylcystine
NCGC00246209-01
HMS2267O19
einecs 246-640-6
SCHEMBL6411060
AKOS030492639
2-benzamido-3-[(2-benzamido-2-carboxyethyl)disulfanyl]propanoic acid
DTXSID90947990
n,n'-bis[hydroxy(phenyl)methylidene]cystine

Research Excerpts

Pharmacokinetics

Excerpt	Reference	Relevance
" To understand the implications of dose and species differences, a physiologically based pharmacokinetic model (PBPK) for DBC and major metabolites was developed in mice and humans."	( Translating dosimetry of Dibenzo[def,p]chrysene (DBC) and metabolites across dose and species using physiologically based pharmacokinetic (PBPK) modeling. Corley, RA; Crowell, SR; Madeen, EP; Ognibene, TJ; Pande, P; Smith, JN; Turteltaub, KW; Williams, DE, 2022)	0.72

Bioavailability

Excerpt	Reference	Relevance
" ATX inhibitors reported to date are analogs of LPA, a phospholipid, and are more hydrophobic than is typical of orally bioavailable drugs."	( Virtual screening approaches for the identification of non-lipid autotaxin inhibitors. Baker, DL; Echols, U; Hoeglund, A; Nguyen, T; Parrill, AL; Pham, TC, 2008)	0.35

Dosage Studied

Excerpt	Relevance	Reference
" PBPK model simulations were evaluated against mice dosed with 15 mg/kg DBC by oral gavage and human volunteers orally microdosed with 29 ng of DBC."	( Translating dosimetry of Dibenzo[def,p]chrysene (DBC) and metabolites across dose and species using physiologically based pharmacokinetic (PBPK) modeling. Corley, RA; Crowell, SR; Madeen, EP; Ognibene, TJ; Pande, P; Smith, JN; Turteltaub, KW; Williams, DE, 2022)	0.72

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Microtubule-associated protein tau	Homo sapiens (human)	Potency	32.4648	0.1800	13.5574	39.8107	AID1460; AID1468
chromobox protein homolog 1	Homo sapiens (human)	Potency	19.9526	0.0060	26.1688	89.1251	AID540317
DNA polymerase iota isoform a (long)	Homo sapiens (human)	Potency	12.5893	0.0501	27.0736	89.1251	AID588590
geminin	Homo sapiens (human)	Potency	6.5131	0.0046	11.3741	33.4983	AID624296
[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)
Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)	IC50 (µMol)	4.1000	0.9700	2.2160	4.1000	AID1306287
Tyrosyl-DNA phosphodiesterase 1	Homo sapiens (human)	IC50 (µMol)	111.0000	0.0120	3.3213	8.4300	AID1306290
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
double-strand break repair	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
cell surface receptor signaling pathway	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
negative regulation of DNA-templated transcription	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
neuron development	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
single strand break repair	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens (human)
DNA repair	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens (human)
double-strand break repair	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
magnesium ion binding	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
single-stranded DNA binding	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
transcription corepressor activity	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
nuclease activity	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
protein binding	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
manganese ion binding	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
tyrosyl-RNA phosphodiesterase activity	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
5'-tyrosyl-DNA phosphodiesterase activity	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
double-stranded DNA binding	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens (human)
single-stranded DNA binding	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens (human)
exonuclease activity	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens (human)
protein binding	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens (human)
3'-tyrosyl-DNA phosphodiesterase activity	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
nucleus	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
nucleoplasm	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
nucleolus	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
cytoplasm	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
aggresome	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
nuclear body	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
PML body	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
PML body	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
cytoplasm	Tyrosyl-DNA phosphodiesterase 2	Homo sapiens (human)
nucleoplasm	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens (human)
cytoplasm	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens (human)
plasma membrane	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens (human)
intracellular membrane-bounded organelle	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens (human)
nucleus	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (21)

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.
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.
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1306293	Inhibition of human recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate at 0.46 to 111 uM after 15 mins in absence of DTT by PAGE method	2016	Bioorganic & medicinal chemistry letters, 07-15, Volume: 26, Issue:14	Discovery of selective inhibitors of tyrosyl-DNA phosphodiesterase 2 by targeting the enzyme DNA-binding cleft.
AID1306291	Inhibition of endogenous human TDP2 within whole cell extracts from human TDP2-complemented DT40 chicken cells using TY19 DNA as substrate after 15 mins by spectrophotometric analysis	2016	Bioorganic & medicinal chemistry letters, 07-15, Volume: 26, Issue:14	Discovery of selective inhibitors of tyrosyl-DNA phosphodiesterase 2 by targeting the enzyme DNA-binding cleft.
AID1306290	Inhibition of human recombinant TDP1 using 5'-[32P]-labeled N14Y as substrate after 15 mins by PAGE method	2016	Bioorganic & medicinal chemistry letters, 07-15, Volume: 26, Issue:14	Discovery of selective inhibitors of tyrosyl-DNA phosphodiesterase 2 by targeting the enzyme DNA-binding cleft.
AID1306287	Inhibition of human recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate after 15 mins by PAGE method	2016	Bioorganic & medicinal chemistry letters, 07-15, Volume: 26, Issue:14	Discovery of selective inhibitors of tyrosyl-DNA phosphodiesterase 2 by targeting the enzyme DNA-binding cleft.
AID1306289	Inhibition of zebra fish recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate after 15 mins by PAGE method	2016	Bioorganic & medicinal chemistry letters, 07-15, Volume: 26, Issue:14	Discovery of selective inhibitors of tyrosyl-DNA phosphodiesterase 2 by targeting the enzyme DNA-binding cleft.
AID324641	Inhibition of human autotaxin expressed in MDA-MB-435 cells assessed as fluorescent lysophosphatidyl choline analog hydrolysis at 10 uM	2008	Bioorganic & medicinal chemistry, Feb-15, Volume: 16, Issue:4	Virtual screening approaches for the identification of non-lipid autotaxin inhibitors.
AID1306292	Inhibition of human recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate at 0.46 to 111 uM after 15 mins in presence of DTT by PAGE method	2016	Bioorganic & medicinal chemistry letters, 07-15, Volume: 26, Issue:14	Discovery of selective inhibitors of tyrosyl-DNA phosphodiesterase 2 by targeting the enzyme DNA-binding cleft.
AID1306288	Inhibition of mouse recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate after 15 mins by PAGE method	2016	Bioorganic & medicinal chemistry letters, 07-15, Volume: 26, Issue:14	Discovery of selective inhibitors of tyrosyl-DNA phosphodiesterase 2 by targeting the enzyme DNA-binding cleft.
[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 (30.00)	29.6817
2010's	5 (50.00)	24.3611
2020's	2 (20.00)	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	10 (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
carbostyril Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.. quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.	2.02	1	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
chrysene chrysene: structure in Merck Index, 9th ed, #2252. chrysene : An ortho-fused polycyclic arene found commonly in the coal tar.	2.41	1	ortho-fused polycyclic arene	plant metabolite
8-aminoquinoline [no description available]	2.02	1
3-[[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid [no description available]	2.04	1	aromatic amide
3-[[[1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid [no description available]	2.04	1	aromatic amide
cystine [no description available]	2.78	3
chiniofon Hydroxyquinolines: The 8-hydroxy derivatives inhibit various enzymes and their halogenated derivatives, though neurotoxic, are used as topical anti-infective agents, among other uses.	2.02	1
direct fast scarlet 4bs Direct Fast Scarlet 4BS: structure in first source	2.04	1

Condition	Relationship Strength	Studies
Innate Inflammatory Response [description not available]	2.05	1
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.	2.05	1
Benign Neoplasms [description not available]	2.41	1
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	2.41	1

n,n'-dibenzoylcystine

Description

Cross-References

Synonyms (16)

Research Excerpts

Pharmacokinetics

Bioavailability

Dosage Studied

Protein Targets (8)

Potency Measurements

Inhibition Measurements

Biological Processes (6)

Molecular Functions (11)

Ceullar Components (9)

Bioassays (21)

Research

Studies (10)

Market Indicators

Research Demand Index: 12.11

Study Types

n,n'-dibenzoylcystine

Description

Cross-References

Synonyms (16)

Research Excerpts

Pharmacokinetics

Bioavailability

Dosage Studied

Protein Targets (8)

Potency Measurements

Inhibition Measurements

Biological Processes (6)

Molecular Functions (11)

Ceullar Components (9)

Bioassays (21)

Research

Studies (10)

Market Indicators

Research Demand Index: 12.11

Study Types

Related Drugs (8)

Related Conditions (4)