Compounds > n-(2-(3,4-dimethylbenzyl)-3-(pivaloyloxy)propyl)-n'-(4-(methylsulfonylamino)benzyl)thiourea
Page last updated: 2024-11-12

n-(2-(3,4-dimethylbenzyl)-3-(pivaloyloxy)propyl)-n'-(4-(methylsulfonylamino)benzyl)thiourea

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Description

N-(2-(3,4-dimethylbenzyl)-3-(pivaloyloxy)propyl)-N'-(4-(methylsulfonylamino)benzyl)thiourea: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID10186304
CHEMBL ID74881
SCHEMBL ID5312662
MeSH IDM0452764

Synonyms (10)

Synonym
CHEMBL74881 ,
2,2-dimethyl-propionic acid 2-(3,4-dimethyl-benzyl)-3-[3-(4-methanesulfonylamino-benzyl)-thioureido]-propyl ester
bdbm50130542
401572-96-1
jyl-827
SCHEMBL5312662
DTXSID60436503
n-[2-(3,4-dimethylbenzyl)-3-(pivaloyloxy)propyl]-n'-[4-(methylsulfonylamino)benzyl]thiourea
2-(3,4-dimethylbenzyl)-3-(3-(4-(methylsulfonamido)benzyl)thioureido)propyl pivalate
n-(2-(3,4-dimethylbenzyl)-3-(pivaloyloxy)propyl)-n'-(4-(methylsulfonylamino)benzyl)thiourea
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (1)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Transient receptor potential cation channel subfamily V member 1Rattus norvegicus (Norway rat)IC50 (µMol)0.06700.00040.21474.0000AID45227
Transient receptor potential cation channel subfamily V member 1Rattus norvegicus (Norway rat)Ki0.04820.00010.64456.4000AID218321; AID218324; AID218487; AID661675; AID661753
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (12)

Assay IDTitleYearJournalArticle
AID218319In vitro [Ca2+] influx relative to capsaicin by Rat Vanilloid receptor (VR1) expressing CHO cells2003Journal of medicinal chemistry, Jul-03, Volume: 46, Issue:14
N-(3-acyloxy-2-benzylpropyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues: novel potent and high affinity antagonists and partial antagonists of the vanilloid receptor.
AID661676Agonist activity at rat TRPV1 expressed in CHO cells assessed as induction of 45Ca2+ uptake at 30 uM relative to capsaicin2012Bioorganic & medicinal chemistry letters, Jun-01, Volume: 22, Issue:11
Structure-activity relationships and molecular modeling of the N-(3-pivaloyloxy-2-benzylpropyl)-N'-[4-(methylsulfonylamino)benzyl] thiourea template for TRPV1 antagonism.
AID218313In vitro [Ca2+] influx relative to capsaicin by Rat Vanilloid receptor (VR1) expressing CHO cells2003Journal of medicinal chemistry, Jul-03, Volume: 46, Issue:14
N-(3-acyloxy-2-benzylpropyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues: novel potent and high affinity antagonists and partial antagonists of the vanilloid receptor.
AID661675Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells2012Bioorganic & medicinal chemistry letters, Jun-01, Volume: 22, Issue:11
Structure-activity relationships and molecular modeling of the N-(3-pivaloyloxy-2-benzylpropyl)-N'-[4-(methylsulfonylamino)benzyl] thiourea template for TRPV1 antagonism.
AID218467Reversal of agonist activity against vanilloid receptor 1 (TRPV1)2004Journal of medicinal chemistry, May-20, Volume: 47, Issue:11
Vanilloid receptor TRPV1 antagonists as the next generation of painkillers. Are we putting the cart before the horse?
AID661753Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of 45Ca2+ uptake2012Bioorganic & medicinal chemistry letters, Jun-01, Volume: 22, Issue:11
Structure-activity relationships and molecular modeling of the N-(3-pivaloyloxy-2-benzylpropyl)-N'-[4-(methylsulfonylamino)benzyl] thiourea template for TRPV1 antagonism.
AID218321Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells2003Journal of medicinal chemistry, Jul-03, Volume: 46, Issue:14
N-(3-acyloxy-2-benzylpropyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues: novel potent and high affinity antagonists and partial antagonists of the vanilloid receptor.
AID45069Agonist effect on 45 [Ca2+] influx in vanilloid receptor expressing CHO cells relative to maximal capsaicin (300 nM) response, weak effect at 30 nM2004Bioorganic & medicinal chemistry letters, May-03, Volume: 14, Issue:9
Analysis of structure-activity relationships for the 'B-region' of N-(3-acyloxy-2-benzylpropyl)-N(')-[4-(methylsulfonylamino)benzyl]thiourea analogues as vanilloid receptor antagonists: discovery of an N-hydroxythiourea analogue with potent analgesic acti
AID218487Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]RTX displacement.2004Bioorganic & medicinal chemistry letters, May-03, Volume: 14, Issue:9
Analysis of structure-activity relationships for the 'B-region' of N-(3-acyloxy-2-benzylpropyl)-N(')-[4-(methylsulfonylamino)benzyl]thiourea analogues as vanilloid receptor antagonists: discovery of an N-hydroxythiourea analogue with potent analgesic acti
AID218324In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]RTX displacement.2003Journal of medicinal chemistry, Jul-03, Volume: 46, Issue:14
N-(3-acyloxy-2-benzylpropyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues: novel potent and high affinity antagonists and partial antagonists of the vanilloid receptor.
AID45227In vitro antagonist effect against 50 nM capsaicin-induced 45 [Ca2+] influx in vanilloid receptor expressing CHO cells2004Bioorganic & medicinal chemistry letters, May-03, Volume: 14, Issue:9
Analysis of structure-activity relationships for the 'B-region' of N-(3-acyloxy-2-benzylpropyl)-N(')-[4-(methylsulfonylamino)benzyl]thiourea analogues as vanilloid receptor antagonists: discovery of an N-hydroxythiourea analogue with potent analgesic acti
AID45244Inhibition of 300 nM capsaicin-induced 45 [Ca2+] influx in vanilloid receptor expressing CHO cells2004Bioorganic & medicinal chemistry letters, May-03, Volume: 14, Issue:9
Analysis of structure-activity relationships for the 'B-region' of N-(3-acyloxy-2-benzylpropyl)-N(')-[4-(methylsulfonylamino)benzyl]thiourea analogues as vanilloid receptor antagonists: discovery of an N-hydroxythiourea analogue with potent analgesic acti
[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's4 (80.00)29.6817
2010's1 (20.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.50

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 Index12.50 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.30 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.50)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (20.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other4 (80.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
capsaicin
[no description available]		2.0110methoxybenzenes;
phenols
nonivamide
nonivamide: has effect on sensory neurons. nonivamide : A capsaicinoid that is the carboxamide resulting from the formal condensation of the amino group of 4-hydroxy-3-methoxybenzylamine with the carboxy group of nonanoic acid. It is the active ingredient in many pepper sprays.		3.1210capsaicinoid;
phenols		lachrymator
sb 366791
N-(3-methoxyphenyl)-4-chlorocinnamanilide: a TRPV1 antagonist; structure in first source		3.1210
capsaicin
ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers.		2.0110capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
thiourea
Thiourea: A photographic fixative used also in the manufacture of resins. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance may reasonably be anticipated to be a carcinogen (Merck Index, 9th ed). Many of its derivatives are ANTITHYROID AGENTS and/or FREE RADICAL SCAVENGERS.. thiourea : The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur.		2.0110one-carbon compound;
thioureas;
ureas		antioxidant;
chromophore
capsazepine
capsazepine: modified capsaicin molecule; a capsaicin receptor antagonist. capsazepine : A benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist.		3.5220benzazepine;
catechols;
monochlorobenzenes;
thioureas		capsaicin receptor antagonist
6-iodonordihydrocapsaicin
6-iodonordihydrocapsaicin: a TRPV1 antagonist		3.1210methoxybenzenes;
phenols
am 404
[no description available]		3.1210anilide
n-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamide
N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide: a vanilloid receptor 1 antagonist and analgesic; structure in first source		3.1210piperazines;
pyridines
jyl 1421
JYL 1421: a vanilloid receptor antagonist; structure in first source		3.1210
ConditionIndicatedRelationship StrengthStudiesTrials