Exact Mass: 270.0681
Exact Mass Matches: 270.0681
Found 156 metabolites which its exact mass value is equals to given mass value 270.0681,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
D-Lombricine
D-lombricine is a lombricine. It is an enantiomer of a L-lombricine.
Leflunomide
Leflunomide is only found in individuals that have used or taken this drug. It is a pyrimidine synthesis inhibitor belonging to the DMARD (disease-modifying antirheumatic drug) class of drugs, which are chemically and pharmacologically very heterogeneous. Leflunomide was approved by FDA and in many other countries (e.g., Canada, Europe) in 1999. Leflunomide is a prodrug that is rapidly and almost completely metabolized following oral administration to its pharmacologically active metabolite, A77 1726. This metabolite is responsible for essentially all of the drugs activity in-vivo. The mechanism of action of leflunomide has not been fully determined, but appears to primarily involve regulation of autoimmune lymphocytes. It has been suggested that leflunomide exerts its immunomodulating effects by preventing the expansion of activated autoimmune lymphocytes via interferences with cell cycle progression. In-vitro data indicates that leflunomide interferes with cell cycle progression by inhibiting dihydroorotate dehydrogenase (a mitochondrial enzyme involved in de novo pyrimidine ribonucleotide uridine monophosphate (rUMP) synthesis) and has antiproliferative activity. Human dihydroorotate dehydrogenase consists of 2 domains: an α/β-barrel domain containing the active site and an α-helical domain that forms a tunnel leading to the active site. A77 1726 binds to the hydrophobic tunnel at a site near the flavin mononucleotide. Inhibition of dihydroorotate dehydrogenase by A77 1726 prevents production of rUMP by the de novo pathway; such inhibition leads to decreased rUMP levels, decreased DNA and RNA synthesis, inhibition of cell proliferation, and G1 cell cycle arrest. It is through this action that leflunomide inhibits autoimmune T-cell proliferation and production of autoantibodies by B cells. Since salvage pathways are expected to sustain cells arrested in the G1 phase, the activity of leflunomide is cytostatic rather than cytotoxic. Other effects that result from reduced rUMP levels include interference with adhesion of activated lymphocytes to the synovial vascular endothelial cells, and increased synthesis of immunosuppressive cytokines such as transforming growth factor-β (TGF-β). Leflunomide is also a tyrosine kinase inhibitor. Tyrosine kinases activate signalling pathways leading to DNA repair, apoptosis and cell proliferation. Inhibition of tyrosine kinases can help to treating cancer by preventing repair of tumor cells. CONFIDENCE standard compound; INTERNAL_ID 1366; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4503; ORIGINAL_PRECURSOR_SCAN_NO 4501 CONFIDENCE standard compound; INTERNAL_ID 1366; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4522; ORIGINAL_PRECURSOR_SCAN_NO 4520 CONFIDENCE standard compound; INTERNAL_ID 1366; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4423; ORIGINAL_PRECURSOR_SCAN_NO 4422 CONFIDENCE standard compound; INTERNAL_ID 1366; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4521; ORIGINAL_PRECURSOR_SCAN_NO 4518 CONFIDENCE standard compound; INTERNAL_ID 1366; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4497; ORIGINAL_PRECURSOR_SCAN_NO 4495 CONFIDENCE standard compound; INTERNAL_ID 1366; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4517; ORIGINAL_PRECURSOR_SCAN_NO 4514 L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C1971 - Angiogenesis Activator Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C2169 - Dihydroorotate Dehydrogenase Inhibitor D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine
Baeocystin
A tryptamine alkaloid that is N-methyltryptamine carrying an additional phosphoryloxy substituent at position 4.
Phenylglucuronide
This compound belongs to the family of Glucuronides. These are compounds comprising the glucuronic acid linked to another substance via a glycosidic bond
3-(Cystein-S-yl)acetaminophen
3-(Cystein-S-yl)acetaminophen is a member of the class of compounds known as L-cysteine-S-conjugates. L-Cysteine-S-conjugates are compounds containing L-cysteine where the thio-group is conjugated.
Phenol glucuronide
Phenol glucuronide belongs to the family of Glucuronides. These are compounds comprising the glucuronic acid linked to another substance via a glycosidic bond.
A771726
A771726 is a metabolite of leflunomide. Leflunomide is a medication of the DMARD type, used in active moderate to severe rheumatoid arthritis and psoriatic arthritis. It is a pyrimidine synthesis inhibitor. (Wikipedia)
S-(5-Acetamido-2-hydroxyphenyl)cysteine
1-(4-Fluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole
2-Methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid
2-Cyano-3-oxo-n-[4-(trifluoromethyl)phenyl]butanamide
2,4-Dinitrophenylhydrazone
2,4-dinitrophenylhydrazone is a member of the class of compounds known as nitrobenzenes. Nitrobenzenes are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. 2,4-dinitrophenylhydrazone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2,4-dinitrophenylhydrazone can be found in rice, which makes 2,4-dinitrophenylhydrazone a potential biomarker for the consumption of this food product. 2,4-Dinitrophenylhydrazine (DNPH, Bradys reagent, Borches reagent) is the chemical compound C6H3(NO2)2NHNH2. Dinitrophenylhydrazine is a red to orange solid. It is a substituted hydrazine, and is often used to qualitatively test for carbonyl groups associated with aldehydes and ketones. The hydrazone derivatives can also be used as evidence toward the identity of the original compound. The melting point of the derivative is often used, with reference to a database of values, to determine the identity of a specific carbonyl compound. It is relatively sensitive to shock and friction; it is a shock explosive so care must be taken with its use. To reduce its explosive hazard, it is usually supplied wet .
Texazone
A member of the class phenoxazines that is 3H-phenoxazine substituted by methylamino, oxo and carboxy groups at positions 2, 3, and 8, respectively. It is a natural product produced by the soil bacterium Saccharopolyspora taberi.
S-(1-Acetamido-4-hydroxyphenyl)cystein|S-<1-Acetamino-4-hydroxy-2-phenyl>-cystein
1H-1,3,4-Benzotriazepin-2-amine, 7-chloro-5-phenyl-
2,8-Dihydroxy-7-methyl-1-methylthiophenanthrene, Micrandrol C
N-Ac,Me ester-(6R,7R)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
1-acetyl-4-hydroxy-beta-carboline-3-carboxylate|tunicoidine D
threo-L-2-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-3-hydroxybutanoic acid
threo-L-3-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxybutanoic acid
(3E)-4-[(1SR,3RS)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]but-3-en-2-one|2-bromo-gamma-ionone
2-Methyl,10-Ac-9-Chloro-p-mentha-1,3,5,8-tetraene-2,5,10-triol|Z-3-chloro-2-(2-hydroxy-4-methyl-5-methoxyphenyl)-prop-2-en-1-yl acetate
leflunomide
L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C1971 - Angiogenesis Activator Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C2169 - Dihydroorotate Dehydrogenase Inhibitor D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
2-(3-hydroxybutyl)-3H-benzimidazole-5-carboxylic acid,hydrochloride
2-(4-Chlorophenyl)-Propanedioicacid 1,3-Diethyl Ester
Benzaldehyde, 3-methoxy-4-[4-(trifluoromethyl)-1H-imidazol-1-yl]
(1S,2S)-1,2-N,N-bis[(methane-sulfonyl)amino]-cyclohexane
N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide
1-PHENYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOHYDRAZIDE
9-(2-Deoxy-2-fluoro-D-arabinofuranosyl)hypoxanthine
4-(3-Methyl-1H-pyrazol-1-yl)-2-trifluoromethylbenzoic acid
1-Methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
3,4-Pyridazinedione, 1,2-dihydro-6-methyl-1-(3-(trifluoromethyl)phenyl )-
teriflunomide
An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the anilino group of 4-(trifluoromethyl)aniline. Used for the treatment of relapsing forms of multiple sclerosis and rheumatoid arthritis. L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents C471 - Enzyme Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(R)-((2-(BROMOMETHYL)-3-METHYLBUTOXY)METHYL)BENZENE
5-METHYL-1-(3-TRIFLUOROMETHYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLICACID
1-(((S)-2-(Bromomethyl)-3-methylbutoxy)methyl)benzene
DIETHYL 2-(METHYLTHIO)PYRIMIDINE-4,5-DICARBOXYLATE
2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid
1,8-Naphthyridine-3-carboxylicacid,2-(trifluoromethyl)-,ethylester(9CI)
1-FLUORO-2-(PHENYLMETHOXY)-4-(TRIFLUOROMETHYL)BENZENE
(3-methylsulfanyl-3-methylsulfinylcyclobutyl)oxymethylbenzene
1-ethyl-2,3-dimethylimidazol-3-ium,hexafluorophosphate
3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZOIC ACID
(1R,2R)-1,2-N,N-bis[(methane-sulfonyl)amino]-cyclohexane
N-(3-CARBAMOYL-4,5-DIMETHYL-THIOPHEN-2-YL)-SUCCINAMIC ACID
1H-Indole-3-carboxylic acid,6-[(6-amino-4-pyrimidinyl)oxy]-
Lombricine
A serine derivative that is serine in which the hydrogen of the hydroxy group has been replaced by a (2-carbamimidamidoethoxy)(hydroxy)phosphoryl group.
2-Propanone, 1,3-dihydroxy-, (2,4-dinitrophenyl)hydrazone (9CI)
7,10-Dimethyl-2,4-dioxo-2,3,4,10-tetrahydrobenzo[g]pteridine-8-carbaldehyde
2-[3-Hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid
N-(2-chloro-6-methylphenyl)morpholine-4-carbothioamide
O-[(2-carbamimidamidoethoxy)(hydroxy)phosphoryl]serine
(9S)-1-amino-9-azaniumyl-1-iminio-6-oxido-5,7-dioxa-2-aza-6-phosphadecan-10-oate 6-oxide
(1R,10aS)-1,4,10,10a-Tetrahydrophenazine-1,6-dicarboxylate
(2R)-2-azaniumyl-3-[2-(diaminomethylideneazaniumyl)ethoxy-oxidophosphoryl]oxypropanoate
(E)-1-(L-cystein-S-yl)-N-hydroxy-2-(4-hydroxyphenyl)ethan-1-imine
3-nitro-N-[(1E)-pyridin-2-ylmethylene]benzohydrazide
4-chloro-N-[(2-methylpropylamino)-sulfanylidenemethyl]benzamide
3-[(5-Acetamido-2-hydroxyphenyl)sulfanyl]-2-azaniumylpropanoate
5-methyl-3-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propylthio]-1H-1,2,4-triazole
(5aS)-5,5a-dihydrophenazine-1,6-dicarboxylic acid
A member of the class of phenazines that is (5aS)-5,5a-dihydrophenazine substituted at positions 1 and 6 by carboxy groups.
phenol O-(beta-D-glucuronide)
A beta-D-glucosiduronic acid that is the glucuronide conjugate of phenol.
S-(5-Acetamido-2-hydroxyphenyl)cysteine
A cysteine derivative in which the thiol hydrogen of cysteine is replaced by a 5-acetamido-2-hydroxyphenyl group.
L-lombricine dizwitterion
A zwitterionic form of L-lombricine where the carboxy and phosphate groups are anionic and the amino and guanidino groups are cationic; major species at pH 7.3.
(1R,10aS)-1,4,10,10a-Tetrahydrophenazine-1,6-dicarboxylate
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylic acid; major species at pH 7.3.
S-(5-acetamido-2-hydroxyphenyl)cysteine zwitterion
An alpha-amino acid zwitterion that is S-(5-acetamido-2-hydroxyphenyl)cysteine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.
2-Methoxyidazoxan (monohydrochloride)
2-Methoxyidazoxan monohydrochloride (RX821002 hydrochloride) is a highly selective alpha 2-adrenoceptor antagonist with little or no imidazoline antagonist effect. RX 821002 has markedly higher affinity for (guinea-pig) alpha 2D-adrenoceptors (pKd 9.7) than for (rabbit) alpha 2A-adrenoceptors (pKd 8.2)[1][2].
Lanicemine (dihydrochloride)
Lanicemine (AZD6765) dihydrochloride is a low-trapping NMDA channel blocker (Ki of 0.56-2.1?μM for NMDA receptor; IC50s of 4-7?μM and 6.4 μM in CHO and Xenopus oocyte cells, respectively). Antidepressant effects[1].
