Compounds > 4-(3,5-difluoroanilino)-6-(2,2-difluoroethylamino)-1,3,5-triazine-2-carbonitrile

Page last updated: 2024-11-13

4-(3,5-difluoroanilino)-6-(2,2-difluoroethylamino)-1,3,5-triazine-2-carbonitrile

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

Cross-References

ID Source	ID
PubMed CID	44142116
CHEMBL ID	567340
CHEBI ID	92397

Synonyms (12)

Synonym
NCGC00181736-01
MLS002264412
MLS002471786
smr001317713
CHEMBL567340 ,
bdbm50303419
4-(2,2-difluoroethylamino)-6-(3,5-difluorophenylamino)-1,3,5-triazine-2-carbonitrile
HMS2211P14
HMS3347P22
CHEBI:92397
Q27164138
4-(3,5-difluoroanilino)-6-(2,2-difluoroethylamino)-1,3,5-triazine-2-carbonitrile

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

Drug Classes (1)

Class	Description
diamino-1,3,5-triazine	Any member of the class of 1,3,5-triazines that consists of a 1,3,5-triazine skeleton substituted by two amino groups.
[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 (15)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, Cruzipain	Trypanosoma cruzi	Potency	0.0251	0.0020	14.6779	39.8107	AID2158
Nrf2	Homo sapiens (human)	Potency	3.5481	0.0920	8.2222	23.1093	AID624171
ATAD5 protein, partial	Homo sapiens (human)	Potency	18.3489	0.0041	10.8903	31.5287	AID504467
Smad3	Homo sapiens (human)	Potency	15.8489	0.0052	7.8098	29.0929	AID588855
P53	Homo sapiens (human)	Potency	28.1838	0.0731	9.6858	31.6228	AID504706
chromobox protein homolog 1	Homo sapiens (human)	Potency	89.1251	0.0060	26.1688	89.1251	AID540317
nuclear factor erythroid 2-related factor 2 isoform 2	Homo sapiens (human)	Potency	29.0929	0.0041	9.9848	25.9290	AID504444
parathyroid hormone/parathyroid hormone-related peptide receptor precursor	Homo sapiens (human)	Potency	5.6234	3.5481	19.5427	44.6684	AID743266
ras-related protein Rab-9A	Homo sapiens (human)	Potency	3.9811	0.0002	2.6215	31.4954	AID485297
urokinase-type plasminogen activator precursor	Mus musculus (house mouse)	Potency	10.0000	0.1585	5.2879	12.5893	AID540303
plasminogen precursor	Mus musculus (house mouse)	Potency	10.0000	0.1585	5.2879	12.5893	AID540303
urokinase plasminogen activator surface receptor precursor	Mus musculus (house mouse)	Potency	10.0000	0.1585	5.2879	12.5893	AID540303
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Cruzipain	Trypanosoma cruzi	IC50 (µMol)	0.0130	0.0002	2.0450	8.0000	AID444616; AID444617
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
PAX8	Homo sapiens (human)	AC50	5.0100	0.0488	5.4354	69.1700	AID687027
cystic fibrosis transmembrane conductance regulator ATP-binding cassette sub-family C member 7	Homo sapiens (human)	AC50	16.0000	0.0398	15.0025	50.0000	AID743267
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (18)

Assay ID	Title	Year	Journal	Article
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.
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.
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.
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID444616	Inhibition of Trypanosoma cruzi cruzain after 15 mins	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.
AID444617	Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.
AID444619	Inhibition of recombinant Trypanosoma brucei rhodesain after 5 mins by spectrofluorimetric analysis	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.
AID444621	Antitrypanosomal activity against Trypanosoma brucei brucei 221 infected in human macrophage after 48 hrs	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.
AID444620	Inhibition of recombinant Trypanosoma brucei cathepsin B after 5 mins by spectrofluorimetric analysis	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	1 (16.67)	29.6817
2010's	4 (66.67)	24.3611
2020's	1 (16.67)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.41

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.

Metric	This Compound (vs All)
Research Demand Index	12.41 (24.57)
Research Supply Index	1.95 (2.92)
Research Growth Index	4.36 (4.65)
Search Engine Demand Index	0.00 (26.88)
Search Engine Supply Index	0.00 (0.95)

This Compound (12.41)

All Compounds (24.57)

Study Types

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	6 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
6-(3-chloroanilino)-9-cyclopentyl-2-purinecarbonitrile [no description available]	2.05	1	0	6-aminopurines
6-(3,5-difluoroanilino)-9-ethyl-2-purinecarbonitrile [no description available]	2.05	1	0	6-aminopurines
6-(3,5-difluoroanilino)-9-(2,2-difluoroethyl)-2-purinecarbonitrile [no description available]	2.05	1	0	6-aminopurines
6-(3-chloroanilino)-9-ethyl-2-purinecarbonitrile [no description available]	2.05	1	0	6-aminopurines
9-(3,5-difluorophenyl)-6-(ethylamino)-2-purinecarbonitrile [no description available]	2.05	1	0	imidazoles

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