Exact Mass: 276.0204768
Exact Mass Matches: 276.0204768
Found 462 metabolites which its exact mass value is equals to given mass value 276.0204768,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
6-Phosphogluconic acid
6-phosphogluconic acid, also known as 6-phospho-D-gluconate or D-gluconic acid 6-(dihydrogen phosphate), is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 6-phosphogluconic acid is soluble (in water) and a moderately acidic compound (based on its pKa). 6-phosphogluconic acid can be found in a number of food items such as purple mangosteen, nopal, chicory leaves, and common sage, which makes 6-phosphogluconic acid a potential biomarker for the consumption of these food products. 6-phosphogluconic acid can be found primarily in blood, cellular cytoplasm, and saliva, as well as throughout most human tissues. 6-phosphogluconic acid exists in all living species, ranging from bacteria to humans. In humans, 6-phosphogluconic acid is involved in the pentose phosphate pathway. 6-phosphogluconic acid is also involved in few metabolic disorders, which include glucose-6-phosphate dehydrogenase deficiency, ribose-5-phosphate isomerase deficiency, transaldolase deficiency, and warburg effect. 6-phosphogluconic acid is formed by 6-phosphogluconolactonase, and acted upon by phosphogluconate dehydrogenase to produce ribulose 5-phosphate. It may also be acted upon by 6-phosphogluconate dehydratase to produce 2-keto-3-deoxy-6-phosphogluconate . 6-Phosphogluconic acid, also known as 6-phospho-D-gluconate or gluconic acid-6-phosphate, belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 6-Phosphogluconic acid exists in all living species, ranging from bacteria to humans. Within humans, 6-phosphogluconic acid participates in a number of enzymatic reactions. In particular, 6-phosphogluconic acid can be biosynthesized from gluconolactone; which is mediated by the enzyme 6-phosphogluconolactonase. In addition, 6-phosphogluconic acid can be converted into D-ribulose 5-phosphate through the action of the enzyme 6-phosphogluconate dehydrogenase, decarboxylating. In humans, 6-phosphogluconic acid is involved in the metabolic disorder called the transaldolase deficiency pathway. Outside of the human body, 6-Phosphogluconic acid has been detected, but not quantified in several different foods, such as cascade huckleberries, common chokecherries, half-highbush blueberries, american cranberries, and okra. [Spectral] 6-Phospho-D-gluconate (exact mass = 276.02463) and Phosphoenolpyruvate (exact mass = 167.98237) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. KEIO_ID P031
2-Carboxyarabinitol 1-phosphate
2-carboxyarabinitol 1-phosphate, also known as 1-pac, is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 2-carboxyarabinitol 1-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 2-carboxyarabinitol 1-phosphate can be found in a number of food items such as soy bean, potato, yellow wax bean, and common bean, which makes 2-carboxyarabinitol 1-phosphate a potential biomarker for the consumption of these food products.
5-(4-Acetoxy-1-butynyl)-2,2'-bithiophene
5-(4-Acetoxy-1-butynyl)-2,2-bithiophene is found in herbs and spices. 5-(4-Acetoxy-1-butynyl)-2,2-bithiophene is isolated from Tagetes specie Isolated from Tagetes subspecies [DFC]. 5-(4-Acetoxy-1-butynyl)-2,2-bithiophene is found in herbs and spices.
4-Hydroxycyclophosphamide
4-Hydroxycyclophosphamide is a primary activation metabolite of cyclophosphamide and of mafosfamide (an experimental drug) after they partially metabolized by cytochrome P450 (PMID: 12021633). Cyclophosphamide is a chemotherapeutic used to suppress the immune system and to treat several cancers including lymphoma, multiple myeloma, leukemia, ovarian cancer, breast cancer and small cell lung cancer. After cyclphosphamide is converted to 4-hydroxycyclophosphamide it is then partially tautomerized into aldophosphamide, which easily enters live cells whereupon it is partially detoxified into inactive carboxycyclophosphamide by the enzyme ALDH. 4-Hydroxycyclophosphamide is also an intermediate metabolite in the formation of phosphoramide mustard, the active metabolite, and acrolein, the metabolite responsible for much of the toxicity associated with cyclophosphamides (PMID: 7059981). 4-Hydroxycyclophosphamide is not cytotoxic at physiologic pH, readily diffuses into cells and spontaneously decomposes into the active phosphoramide mustard. In human liver microsomes, 4-Hydroxycyclophosphamide formation correlates with known phenotypic markers of CYP2B6 activity, specifically formation of (S)-2-ethyl-1,5-dimethyl-3,3-diphenyl pyrrolidine and hydroxybupropion. In addition, it is reported that the CYP2B6 genotype is not consistently related to 4-Hydroxycyclophosphamide formation in vitro or in vivo (PMID: 21976622). 4-Hydroxycyclophosphamide is only found in individuals who have consumed the drug cyclophosphamide. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Aldophosphamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
2-(2-chlorophenyl)-5-(5-methyl-2-thienyl)-1,3,4-oxadiazole
C13H9ClN2OS (276.01240939999997)
2-Chloro-5-nitro-N-phenylbenzamide
CONFIDENCE standard compound; INTERNAL_ID 929; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4257; ORIGINAL_PRECURSOR_SCAN_NO 4255 CONFIDENCE standard compound; INTERNAL_ID 929; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3923; ORIGINAL_PRECURSOR_SCAN_NO 3921 CONFIDENCE standard compound; INTERNAL_ID 929; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4307; ORIGINAL_PRECURSOR_SCAN_NO 4305 CONFIDENCE standard compound; INTERNAL_ID 929; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3920; ORIGINAL_PRECURSOR_SCAN_NO 3918 GW9662 is a potent and selective PPARγ antagonist with an IC50 of 3.3 nM, showing 10 and 1000-fold selectivity over PPARα and PPARδ, respectively.
4-Hydroxyifosfamide
4-Hydroxyifosfamide is the active metabolite of the bifunctional alkylating cytostatic drug known as ifosfamide. 4-Hydroxyifosfamide is a member of the compound class known as oxazaphosphorines. Oxazaphosphorines are any saturated six-membered heterocycle containing three carbon atoms and one each of oxygen, nitrogen and phosphorus, especially one in which the phosphorus atom is linked to both the nitrogen and oxygen atoms. 4-Hydroxyifosfamide is very unstable in plasma and a stabilization procedure by adding citric acid has been developed (PMID: 9172103). 4-Hydroxyifosfamide is known to pass through the blood-brain barrier, and can reach cerebrospinal fluid concentrations that are almost as high as plasma concentrations (PMID: 9677448). 4-Hydroxyifosfamide is only found in individuals who have consumed or received the drug Ifosfamide. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Aldoifosfamide
Aldoifosfamide is a metabolite of ifosfamide. Ifosfamide (pronounced eye. fos. fa. mide) (also marketed as Mitoxana and Ifex) is a nitrogen mustard alkylating agent used in the treatment of cancer. It is sometimes abbreviated IFO. (Wikipedia)
sulfabenzamide
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
Menadione sodiuM bisulfite
D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D050299 - Fibrin Modulating Agents > D000933 - Antifibrinolytic Agents D018977 - Micronutrients > D014815 - Vitamins
chlorpropamide
C10H13ClN2O3S (276.03353780000003)
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents CONFIDENCE standard compound; INTERNAL_ID 420; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4086; ORIGINAL_PRECURSOR_SCAN_NO 4084 CONFIDENCE standard compound; INTERNAL_ID 420; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4103; ORIGINAL_PRECURSOR_SCAN_NO 4100 CONFIDENCE standard compound; INTERNAL_ID 420; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4094; ORIGINAL_PRECURSOR_SCAN_NO 4092 CONFIDENCE standard compound; INTERNAL_ID 420; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4084; ORIGINAL_PRECURSOR_SCAN_NO 4083 CONFIDENCE standard compound; INTERNAL_ID 420; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4194; ORIGINAL_PRECURSOR_SCAN_NO 4191 CONFIDENCE standard compound; INTERNAL_ID 420; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4083; ORIGINAL_PRECURSOR_SCAN_NO 4082
Chlorpropamide
C10H13ClN2O3S (276.03353780000003)
Chlorpropamide is an oral antihyperglycemic agent used for the treatment of non-insulin-dependent diabetes mellitus (NIDDM). It belongs to the sulfonylurea class of insulin secretagogues, which act by stimulating I cells of the pancreas to release insulin. Sulfonylureas increase both basal insulin secretion and meal-stimulated insulin release. Medications in this class differ in their dose, rate of absorption, duration of action, route of elimination and binding site on their target pancreatic I cell receptor. Sulfonylureas also increase peripheral glucose utilization, decrease hepatic gluconeogenesis and may increase the number and sensitivity of insulin receptors. Sulfonylureas are associated with weight gain, though less so than insulin. Due to their mechanism of action, sulfonylureas may cause hypoglycemia and require consistent food intake to decrease this risk. The risk of hypoglycemia is increased in elderly, debilitated and malnourished individuals. Chlorpropamide is not recommended for the treatment of NIDDM as it increases blood pressure and the risk of retinopathy (UKPDS-33). Up to 80\\% of the single oral dose of chlorpropramide is metabolized, likely in the liver; 80-90\\% of the dose is excreted in urine as unchanged drug and metabolites. Renal and hepatic dysfunction may increase the risk of hypoglycemia. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents
Aldophosphamide
Detoxification of cyclophosphamide is effected, in part, by hepatic class 1 aldehyde dehydrogenase (ALDH-1)-catalyzed oxidation of aldophosphamide, a pivotal aldehyde intermediate, to the nontoxic metabolite, carboxyphosphamide. Detoxification of aldophosphamide may also be effected by enzymes, viz. Thus, NAD-linked oxidation and NADPH-linked reduction of aldophosphamide catalyzed by relevant erythrocyte enzymes were quantified. (PMID: 9394035) Class 1 aldehyde dehydrogenases (ALDH-1) function as drug resistance gene products by catalyzing the irreversible conversion of aldophosphamide, an active metabolite of cyclophosphamide, to an inert compound. (PMID: 9322086) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
2-Carboxyarabinitol 5-phosphate
2-Carboxyarabinitol 5-phosphate is found in pulses. 2-Carboxyarabinitol 5-phosphate is isolated from the leaves of Phaseolus vulgaris (kidney bean). Isolated from the leaves of Phaseolus vulgaris (kidney bean). 2-Carboxyarabinitol 5-phosphate is found in pulses, yellow wax bean, and green bean.
O-Demethylfonsecin
O-Demethylfonsecin is a pigment from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius. Pigment from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius.
Dihydroferulic acid 4-O-sulfate
Dihydroferulic acid 4-O-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313). Dihydroferulic acid 4-O-sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).
Suprofen S-oxide
Suprofen S-oxide is a metabolite of suprofen. Suprofen is a non-steroidal anti-inflammatory drug (NSAID) developed by Janssen Pharmaceutica that was marketed as 1\\% eye drops under the trade name Profenal. (Wikipedia)
Thiophene-4,5-epoxide
Thiophene-4,5-epoxide is a metabolite of suprofen. Suprofen is a non-steroidal anti-inflammatory drug (NSAID) developed by Janssen Pharmaceutica that was marketed as 1\\% eye drops under the trade name Profenal. (Wikipedia)
6-phosphonatooxy-D-gluconate
6-phosphonatooxy-D-gluconate is also known as 6-phospho-D-Gluconic acid. 6-phosphonatooxy-D-gluconate is considered to be soluble (in water) and acidic
3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid
3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(3-hydroxy-4-methoxyphenyl)propanoic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -3-O-sulfation-of-phenolic-compound reaction. This -3-O-sulfation-of-phenolic-compound occurs in humans.
1-(3-Fluoro-4-hydroxy-5-mercaptomethyltetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
2-beta-d-Ribofuranosyl thiazole-4-carboxamide
4H-1,3,2-Benzodioxaphosphorin, 2-(2-methylphenoxy)-, 2-oxide
Arctic acid B
Arctic acid b, also known as arctate b, is a member of the class of compounds known as bi- and oligothiophenes. Bi- and oligothiophenes are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. Arctic acid b is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Arctic acid b can be found in burdock, which makes arctic acid b a potential biomarker for the consumption of this food product.
2-C-methyl-D-erythritol-2,4-cyclodiphosphate
2-c-methyl-d-erythritol-2,4-cyclodiphosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 2-c-methyl-d-erythritol-2,4-cyclodiphosphate can be found in a number of food items such as papaya, yautia, italian oregano, and daikon radish, which makes 2-c-methyl-d-erythritol-2,4-cyclodiphosphate a potential biomarker for the consumption of these food products.
3-Chloro-2-oxo-1(10),3,7(11),8-guiatetraen-12,6-olide
2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone
(3R*,4S*)-3,4,6,7-tetrachloro-3,7-dimethylocten-1-ene
1-(ethyldichlorosilyl)-2-(diethylchlorosilyl)ethane
2-Oxo-4-(3,4-dihydroxyphenethyl)-2H-pyran-6-carboxylic acid
2-Chloro-7-hydroxy-3-methoxy-1,9-dimethyldibenzofuran
1,3-dihydroxy-10-(ethoxycarbonyl)benzotropolone|ethyl 2,4,6-trihydroxy-5-oxo-5H-benzo[b]cycloheptene-8-carboxylate|goupiolone A
6-carboxy-7-isobutyryloxy-coumarin|6-Carboxy-7-isobutyryloxy-cumarin|6-carboxy-7-isobutyryloxycoumarin
5,7-Dichloro-3,4-dihydro-8-hydroxy-3-methyl-6-methoxy-1H-2-benzopyran-1-one
C11H10Cl2O4 (275.99561200000005)
Alpha-Oxo-5-(1-propynyl)[2,2-bithiophene]-5-acetic acid|arctic acid-b
2-(1-Acetoxy-aethyl)-5-(thienyl-(2)-aethinyl)-thiophen|2-(1-Acetoxy-aethyl)-5--thiophen|2-(1-Acetoxyaethyl)-5-<(2-thienyl)aethinyl>thiophen|Ac-alpha-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol
6-[2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxy-pyran-2-one
A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and (2,4-dihydroxy-6-methylphenyl)-2-oxoethyl groups respectively.
C14H12O6_Spiro[cyclopent-4-ene-1,1(3H)-isobenzofuran]-3,3-dione, 2,4-dihydroxy-6-methoxy-5-methyl
2-(4-CHLORO-2-METHOXY-[1,1-BIPHENYL]-3-YL)ACETIC ACID
2-(4-CHLORO-2-METHOXY-[1,1-BIPHENYL]-4-YL)ACETIC ACID
5-Amino-1-(3-bromophenyl)-3-methyl-1H-pyrazole-4-carbonitrile
Acetamide,2-chloro-N-[4-[(dimethylamino)sulfonyl]phenyl]-
C10H13ClN2O3S (276.03353780000003)
1-(3-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-2,2,2-TRIFLUOROETHANONE
2,4,6-Tris(1-chloroethyl)-1,3,5-trioxane
C9H15Cl3O3 (276.00867300000004)
7-CHLOROMETHYL-3-PHENYL-THIAZOLO[3,2-A]PYRIMIDIN-5-ONE
C13H9ClN2OS (276.01240939999997)
methyl 3-(benzoylamino)-2-cyano-3-(methylthio)acrylate
(2-([(5-CHLORO-1,2,3-THIADIAZOL-4-YL)METHYL]SULFANYL)-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL
4-CHLORO-7-ISOPROPOXY-6-METHOXYQUINOLINE-3-CARBONITRILE
N-(2-Aminoethyl)-2-(2,6-dichlorophenoxy)propanamide
6-Bromo-2-fluoro-3-propoxyphenylboronic acid
C9H11BBrFO3 (275.99685980000004)
4-(METHYLSULFONYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
2-(2-CHLORO-5-METHOXY-[1,1-BIPHENYL]-4-YL)ACETIC ACID
Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate
Benzoic acid,4-chloro-, 1-(4-methoxyphenyl)hydrazide
2-chloro-5-morpholin-4-ylsulfonylaniline
C10H13ClN2O3S (276.03353780000003)
2-AMINO-5,5-DIMETHYL-5,6-DIHYDRO-4H-BENZOTHIAZOL-7-ONE HYDROBROMIDE
5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
3-BROMO-6-FLUORO-3-PROPOXYPHENYLBORONIC&
C9H11BBrFO3 (275.99685980000004)
3-Bromo-5-fluoro-2-isopropoxyphenylboronic acid
C9H11BBrFO3 (275.99685980000004)
Phosphoric acid,2,2-dichloroethenyl bis(1-methylethyl) ester
2,2-(perfluorocyclohexa-2,5-diene-1,4-diylidene)dimalononitrile
Benzeneacetic acid,2,3,5,6-tetrafluoro-4-(trifluoromethyl)-
3-BROMO-5-FLUORO-2-PROPOXYPHENYLBORONIC&
C9H11BBrFO3 (275.99685980000004)
ethyl-2-methyl-4-(2-chlorophenyl)-5-pyrimidine carboxylate
SPIRO[FURO[3,4-C]PYRIDINE-1(3H),4-PIPERIDIN]-3-ONEHYDROCHLORIDE
2,4,6-triethyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
4-(2-HYDROXYETHYL)PIPERAZINE-1-ETHANESULFONIC ACID POTASSIUM SALT
C8H17KN2O4S (276.05460619999997)
potassium,trifluoro-[4-(4-hydroxyphenyl)phenyl]boranuide
C12H9BF3KO (276.03355899999997)
2-[2-(4-acetylanilino)-1,3-thiazol-4-yl]acetic acid
METHYL 4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLATE
7H-Furo[3,2-g][1]benzopyran-7-one,3-(chloromethyl)-2,5,9-trimethyl-
Benzaldehyde,3-chloro-, 2-[(3-chlorophenyl)methylene]hydrazone
DCB (3,3′-dichlorobenzaldazine) is an neutral allosteric modulator of the metabotropic glutamate receptor metabotropic glutamate receptor subtype 5 (mGluR5). DCB blocks the positive allosteric regulation of mGluRs (mGluR5) with the help of 3,3′-difluorobenzaldazine (DFB). DCB shows the negative modulatory effect of 3,3′-dimethoxybenzaldazine (DMeOB)[1].
4-fluoro-1-(phenylsulfonyl)-1h-pyrrolo[2,3-b]pyridine
(3-BROMOPHENYL)(2,2-DIMETHOXYETHYL)SULFANE
C10H13BrO2S (275.98195780000003)
(4-BROMOPHENYL)(2,2-DIMETHOXYETHYL)SULFANE
C10H13BrO2S (275.98195780000003)
ethyl 2-methyl-4,5,6,7-tetrafluorobenzofuran-3-carboxylate
C12H8F4O3 (276.04095459999996)
7-chloro-N-(p-tolyl)thiazolo[5,4-d]pyrimidin-2-amine
C12H9ClN4S (276.02364239999997)
2-[(4-bromoimidazol-1-yl)methoxy]ethyl-trimethylsilane
C9H17BrN2OSi (276.02934519999997)
Dichlorodi-p-xylylene
D001697 - Biomedical and Dental Materials
ethyl 2-(2,4-dichloro-6-formylphenoxy)acetate
C11H10Cl2O4 (275.99561200000005)
4-(METHYLSULFONYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
7-(hydroxymethyl)-4,9-dimethoxyfuro[3,2-g]chromen-5-one
4-(METHYLSULFONYL)[1,1-BIPHENYL]-2-CARBOXYLIC ACID
2-Bromo-6-fluoro-3-isopropoxyphenylboronic acid
C9H11BBrFO3 (275.99685980000004)
diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-λ5-phosphane
2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carboxylic acid
C7H2ClF5N2O2 (275.97249619999997)
Ethyl 2-(4-chlorophenyl)-4-methyl-5-pyrimidinecarboxylate
3-Bromo-4,5,6-trimethoxy-2-methylphenol
C10H13BrO4 (275.99971580000005)
phenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate
4-HYDROXY-6-METHYL-QUINOLINE-3-CARBOXYLICACIDETHYLESTER
1-[(5-BROMOPENTYL)OXY]-4-CHLOROBENZENE
C11H14BrClO (275.99164840000003)
4-[(4-chlorobenzyl)oxy]-3-methoxybenzenecarbaldehyde
2,2-(2-HYDROXYPROPANE-1,3-DIYLDISULFONYL)DIETHANOL
1-(3,4-Dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
1H-Pyrrolo[2,3-b]pyridine, 6-fluoro-1-(phenylsulfonyl)-
TERT-BUTYL (2-CHLORO-5-FLUORO-6-METHOXYPYRIDIN-3-YL)CARBAMATE
2-(4-Chlorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone
4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid
2-[1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-5-YL]-THIOPHENE-5-CARBOXYLIC ACID
(6E)-6-[(2-chlorophenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
C13H9ClN2OS (276.01240939999997)
(6E)-6-[(4-chlorophenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
C13H9ClN2OS (276.01240939999997)
6-[(2-chlorophenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
C13H9ClN2OS (276.01240939999997)
6-[(4-chlorophenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
C13H9ClN2OS (276.01240939999997)
4-(Chlorosulfonyl)phenyl pivalate
C11H13ClO4S (276.02230480000003)
ETHYLENEDIAMINE-N,N-DIPROPIONIC ACID DIHYDROCHLORIDE
C8H18Cl2N2O4 (276.06435680000004)
1,14-DIMETHYL-4,10-DIOXATETRACYCLO[5.5.2.0(2,6).0(8,12)]TETRADEC-13-ENE-3,5,9,11-TETRAONE
3-(4-(TRIFLUOROMETHYL)PHENYL)PYRIDO[3,4-E][1,2,4]TRIAZINE
Silver(I) ((4-(2H-tetrazol-5-yl)tetraaz-3-en-2-yl)(amino)methylene)amide
Dicarbonylbis(cyclopentadienyl)zirconium
C12H10O2Zr (275.97278400000005)
3-(3,4-dichlorophenyl)pentanedioic acid
C11H10Cl2O4 (275.99561200000005)
6-Bromo-2-fluoro-3-isopropoxyphenylboronic acid
C9H11BBrFO3 (275.99685980000004)
4-(2-Fluoro-4-nitrophenoxy)piperidine hydrochloride
4-Bromo-5-fluoro-2-nitro-N-propylaniline
C9H10BrFN2O2 (275.99096319999995)
1-(3-Bromophenyl)piperazine hydrochloride (1:1)
C10H14BrClN2 (276.00288140000004)
3-(7-Chloro-8-methyl-2-quinolinyl)-1,2,4-thiadiazol-5-amine
C12H9ClN4S (276.02364239999997)
3-(6-Chloro-8-methyl-2-quinolinyl)-1,2,4-thiadiazol-5-amine
C12H9ClN4S (276.02364239999997)
Benzaldehyde,2-chloro-, 2-[(2-chlorophenyl)methylene]hydrazone
2-Propen-1-one,3-(2-chlorophenyl)-1-(4-chlorophenyl)-
(BICYCLO[2.2.1]HEPTA-2,5-DIENE)[(2S,3S)-BIS(DIPHENYLPHOSPHINO)-BUTANE]RHODIUM(I)PERCHLORATE
2-(chloromethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
C13H9ClN2OS (276.01240939999997)
3-(7-Chloro-6-methyl-2-quinolinyl)-1,2,4-thiadiazol-5-amine
C12H9ClN4S (276.02364239999997)
ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
5-(1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-YL)THIOPHENE-2-CARBOXYLIC ACID
ETHYL 7-METHOXYIMIDAZO[2,1-B]BENZOTHIAZOLE-2-CARBOXYLATE
5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
5-AMINO-1-(4-BROMOPHENYL)-3-METHYL-4-CYANO 1H-PYRAZOLE
4-METHYL-5-[3-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]-1,3-THIAZOL-2-AMINE
N-(4-Chloro-6-methyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine
C12H9ClN4S (276.02364239999997)
1-(4-Bromophenyl)piperazine hydrochloride
C10H14BrClN2 (276.00288140000004)
N-[(4-chlorophenyl)-oxomethyl]-2-pyrazinecarbohydrazide
2-[(2-Chlorobenzyl)thio]-1,4,5,6-tetrahydropyrimidine hydrochloride
6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
C13H9ClN2OS (276.01240939999997)
2-{[(4-Methoxybenzoyl)oxy]ethanimidoyl}-1,3-thiazole
2-(4-Chlorobenzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride
7H-Furo[3,2-g][1]benzopyran-7-one, 4,5,6-trimethoxy-
1-{[N-(1-Imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene
4-(7-Hydroxy-5-methyl-4-oxochromen-2-yl)-3-oxobutanoic acid
6-(Hydroxymethyl)-6-methyl-2,4-dioxido-2,4-dioxo-1,3,5,2lambda5,4lambda5-trioxadiphosphocan-7-ol
2-C-methyl-D-erythritol 2,4-cyclic diphosphate(2-)
2-(2,4-Dihydroxy-6-methylbenzoyl)benzene-1,3,5-triol
N-(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrole-6-yl)benzamide
2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate
3-(2-Methyloxiran-2-yl)propyl phosphono hydrogen phosphate
(2S,3R,4R)-2,3,4,5-tetrahydroxy-2-(phosphonooxymethyl)pentanoic acid
Sulfanyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
N-[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
N-[(E)-(5-nitrothiophen-2-yl)methylidene]pyridine-2-carbohydrazide
5-(2-Chloro-4-fluorophenyl)-3-(2-pyrazinyl)-1,2,4-oxadiazole
4-Amino-2-(4-chlorophenyl)-6-(methylthio)pyrimidine-5-carbonitrile
C12H9ClN4S (276.02364239999997)
N-(3-chlorophenyl)-N-[(3-chlorophenyl)methylidene]methanimidamide
3-(2-chloro-6-fluorophenyl)-N-4-pyridinylacrylamide
N-acetyl-S-(2-succino)-L-cysteine
C9H10NO7S-3 (276.01779700000003)
Dehydrocitreoisocoumarin
A member of the class of isocoumarins that is 1H-isochromen-1-one substituted by a 2,4-dioxopentyl group at position 3 and by hydroxy groups at positions 6 and 8.
2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate(2-)
3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-benzo[f]chromen-1-one
N-[4-chloro-2-[oxo(1H-pyrrol-2-yl)methyl]phenyl]propanamide
2-[(3-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridin-5-ium
[4-(3-Hydroxybutyl)-2-methoxyphenyl] hydrogen sulate
4-(4-Hydroxy-3-methoxyphenyl)butan-2-yl hydrogen sulate
4-Hydroxycyclophosphamide
A phosphorodiamide that consists of 2-amino-1,3,2-oxazaphosphinan-4-ol 2-oxide having two 2-chloroethyl groups attached to the exocyclic nitrogen. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
GW 9662
GW9662 is a potent and selective PPARγ antagonist with an IC50 of 3.3 nM, showing 10 and 1000-fold selectivity over PPARα and PPARδ, respectively.
2-C-methyl-D-erythritol 2,4-cyclic diphosphate(2-)
Dianion of 2-C-methyl-D-erythritol 2,4-cyclic diphosphate.
4-Hydroxyifosfamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-[1,3,4]oxadiazole
C13H9ClN2OS (276.01240939999997)
6-Phospho-D-gluconic acid
A gluconic acid phosphate having the phosphate group at the 6-position. It is an intermediate in the pentose phosphate pathway.
YWA1
A heptaketide that is 2,3-dihydro-4H-benzo[g]chromen-4-one bearing a methyl substituent at position 2 and four hydroxy substituents at positions 2, 5, 6 and 8.
CNQX (disodium)
C9H2N4Na2O4 (275.98714520000004)
CNQX disodium (FG9065 disodium) is a potent and competitive AMPA/kainate receptor antagonist with IC50s of 0.3 μM and 1.5 μM, respectively. CNQX disodium is a competitive non-NMDA receptor antagonist[1]. CNQX disodium blocks the expression of fear-potentiated startle in rats[5].
PT-262
PT-262 is a potent ROCK inhibitor with an IC50 value of around 5 μM. PT-262 induces the loss of mitochondrial membrane potential and elevates the caspase-3 activation and apoptosis. PT-262 inhibits the ERK and CDC2 phosphorylation via a p53-independent pathway. PT-262 blocks cytoskeleton function and cell migration. PT-262 has anti-cancer activity[1][2].
3,7,9-trihydroxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione
7-hydroxy-5-methoxy-3-(5-methyl-2-oxo-5h-furan-3-yl)-3h-2-benzofuran-1-one
5-hydroxy-1,7-dimethoxy-1h,3h-naphtho[2,3-c]furan-4,9-dione
5,7-dichloro-6-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
C11H10Cl2O4 (275.99561200000005)
methyl (2z)-3-(8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)prop-2-enoate
8-hydroxy-2-(hydroxymethyl)-9-methoxy-5h-pyrano[3,2-c]chromen-4-one
2,2′,5″,2″-terthiophene-5-carboxylic acid
{"Ingredient_id": "HBIN003664","Ingredient_name": "2,2\u2032,5\u2033,2\u2033-terthiophene-5-carboxylic acid","Alias": "NA","Ingredient_formula": "C13H8OS3","Ingredient_Smile": "C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41879","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,5,7-trihydroxy-1-methoxy-4a,9a-dihydroxanthen-9-one
7,9-dihydroxy-6-methoxy-3-methyl-1h-pyrano[4,3-b]chromen-10-one
[(3ar)-6,8-dihydroxy-1-oxo-2h,3h-cyclopenta[b]chromen-3a-yl]acetic acid
(1r)-5-hydroxy-1,7-dimethoxy-1h,3h-naphtho[2,3-c]furan-4,9-dione
(2r,3r,4r)-3,4,9-trihydroxy-2-methyl-2h,3h,4h-naphtho[2,3-b]pyran-5,10-dione
(3s,4r,6r)-3,4,6,7-tetrachloro-3,7-dimethyloct-1-ene
(1s)-1,6-dihydroxy-8-methoxy-1-methyl-2h-cyclopenta[c]isochromene-3,5-dione
2-(5-acetyl-6-hydroxy-1-benzofuran-2-yl)-2-oxoethyl acetate
(3s)-7-hydroxy-3-methyl-10-oxo-1h,3h,4h-pyrano[4,3-b]chromene-9-carboxylic acid
(3s)-3-hydroxy-4-(5-hydroxy-1,4-dioxonaphthalen-2-yl)butanoic acid
(3r)-7-hydroxy-5-methoxy-3-(5-methyl-2-oxo-5h-furan-3-yl)-3h-2-benzofuran-1-one
(9ar,9br)-8-chloro-3,6,9-trimethyl-9ah,9bh-azuleno[4,5-b]furan-2,7-dione
8,12-dihydroxy-10-(hydroxymethyl)-6-methoxy-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-2-one
(2r,3s,4r,5s)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)hexanoic acid
(2e)-3-[4,5-dihydroxy-2-(sulfooxy)phenyl]prop-2-enoic acid
3,4-dihydroxy-5-(3-hydroxy-5-methylphenoxy)benzoic acid
6-[(2-acetyl-3,5-dihydroxyphenyl)methyl]-4-hydroxypyran-2-one
5-{1λ⁴-[2,2'-bithiophen]-5'-yl}thiophene-2-carbaldehyde
(5r)-5,12-dihydroxy-6-methoxy-10-methyl-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),6,9,11-tetraene-2,8-dione
4-methoxy-6-(4-methoxy-2h-1,3-benzodioxol-5-yl)pyran-2-one
(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphonothioic acid
1,7,9-trihydroxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
10-hydroxy-3,5,9,19-tetraazapentacyclo[10.7.0.0²,⁶.0⁷,¹¹.0¹³,¹⁸]nonadeca-1(12),2(6),4,7(11),9,13(18),14,16-octaen-8-one
C15H8N4O2 (276.06472279999997)
ethyl 1,3,9-trihydroxy-8-oxobenzo[7]annulene-6-carboxylate
6-(2h-1,3-benzodioxol-5-yl)-4,5-dimethoxypyran-2-one
(1s,5's)-4,5'-dihydroxy-6-methoxy-2'-methylspiro[2-benzofuran-1,1'-cyclopentan]-2'-ene-3,4'-dione
8-chloro-3,6,9-trimethyl-9ah,9bh-azuleno[4,5-b]furan-2,7-dione
4-(3,4-dihydroxybenzoyl)-5-methoxybenzene-1,3-diol
[(2r,3s,4r,5r)-2,3,4,5,6-pentahydroxyhexanoyl]oxyphosphonic acid
(9ar,9bs)-8-chloro-3,6,9-trimethyl-9ah,9bh-azuleno[4,5-b]furan-2,7-dione
{6,8-dihydroxy-1-oxo-2h,3h-cyclopenta[b]chromen-3a-yl}acetic acid
4-[2-(3,4-dihydroxyphenyl)ethyl]-6-oxopyran-2-carboxylic acid
3,5-dihydroxy-2-[(2s,3s)-3-methyl-5-oxooxolan-2-yl]chromen-4-one
12-chloro-11-methoxy-3,13-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-5-ol
8-hydroxy-2,4,9,19-tetraazapentacyclo[10.7.0.0²,⁶.0⁷,¹¹.0¹³,¹⁸]nonadeca-1(12),3,5,7(11),8,13(18),14,16-octaen-10-one
C15H8N4O2 (276.06472279999997)
1,6-dihydroxy-8-methoxy-1-methyl-2h-cyclopenta[c]isochromene-3,5-dione
6-[2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxypyran-2-one
(3r)-5,7-dichloro-6-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
C11H10Cl2O4 (275.99561200000005)