Exact Mass: 227.0906018
Exact Mass Matches: 227.0906018
Found 500 metabolites which its exact mass value is equals to given mass value 227.0906018
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Deoxycytidine
Deoxycytidine, also known as dC, belongs to the class of organic compounds known as pyrimidine 2-deoxyribonucleosides. Pyrimidine 2-deoxyribonucleosides are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2. Deoxycytidine is also classified as a deoxyribonucleoside, a component of deoxyribonucleic acid (DNA). Deoxycytidine is similar to the ribonucleoside cytidine, but with one hydroxyl group removed from the 2 position. Deoxycytidine exists in all living species, ranging from bacteria to plants to humans. Degradation of DNA through apoptosis or cell death produces deoxycytidine. Within humans, deoxycytidine participates in a number of enzymatic reactions. In particular, deoxycytidine can be biosynthesized from dCMP through the action of the enzyme cytosolic purine 5-nucleotidase. In addition, deoxycytidine can be converted into dCMP; which is mediated by the enzyme uridine-cytidine kinase-like 1. Deoxycytidine can be phosphorylated at the C-5 position by the enzyme deoxycytidine kinase to produce deoxycytidine monophosphate (dCMP), and to a lesser extent, deoxycytidine diphosphate (dCDP), and deoxycytidine triphosphate (dCTP). Deoxycytidine can also be phosphorylated by thymidine kinase 2 (TK2). Deoxycytidine can potentially be used for the treatment of the metabolic disorder known as thymidine kinase 2 deficiency (TK2 deficiency). TK2 deficiency has three disease subtypes: i) infantile-onset myopathy with rapid progression to early death ii) childhood-onset myopathy, which resembles spinal muscular atrophy (SMA) type III, begins between ages 1 and 12 years with progression to loss of ambulation within few years and iii) late-onset myopathy starting at age 12 year or later with moderate to severe myopathy manifesting as either isolated chronic progressive external ophthalmoplegia (CPEO) or a generalized myopathy with CPEO plus facial and limb weakness, gradual progression, and, in some cases, respiratory failure and loss of ability to walk in adulthood (PMID: 28318037). In mouse models of TK2, dC was shown to delay disease onset, prolong life span and restore mtDNA copy number as well as respiratory chain enzyme activities (PMID: 28318037). One of the principal nucleosides of DNA composed of cytosine and deoxyribose. A nucleoside consists of only a pentose sugar linked to a purine or pyrimidine base, without a phosphate group. When N1 is linked to the C1 of deoxyribose, deoxynucleosides and nucleotides are formed from cytosine and deoxyribose; deoxycytidine monophosphate (dCMP), deoxycytidine diphosphate (dCDP), deoxycytidine triphosphate (dCTP). CTP is the source of the cytidine in RNA (ribonucleic acid) and deoxycytidine triphosphate (dCTP) is the source of the deoxycytidine in DNA (deoxyribonucleic acid). [HMDB]. Deoxycytidine is found in many foods, some of which are japanese pumpkin, turmeric, prairie turnip, and kai-lan. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite Acquisition and generation of the data is financially supported in part by CREST/JST. C26170 - Protective Agent > C2459 - Chemoprotective Agent COVID info from COVID-19 Disease Map KEIO_ID D055; [MS2] KO008940 Corona-virus KEIO_ID D055 Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2'-Deoxycytidine, a deoxyribonucleoside, can inhibit biological effects of Bromodeoxyuridine (Brdu). 2'-Deoxycytidine is essential for the synthesis of nucleic acids, that can be used for the research of cancer[1][2]. 2'-Deoxycytidine, a deoxyribonucleoside, could inhibit biological effects of Bromodeoxyuridine (Brdu).
Ametryn
CONFIDENCE standard compound; INTERNAL_ID 231; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8126; ORIGINAL_PRECURSOR_SCAN_NO 8125 CONFIDENCE standard compound; INTERNAL_ID 231; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8114; ORIGINAL_PRECURSOR_SCAN_NO 8112 CONFIDENCE standard compound; INTERNAL_ID 231; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8093; ORIGINAL_PRECURSOR_SCAN_NO 8091 CONFIDENCE standard compound; INTERNAL_ID 231; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8130; ORIGINAL_PRECURSOR_SCAN_NO 8128 CONFIDENCE standard compound; INTERNAL_ID 231; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8073; ORIGINAL_PRECURSOR_SCAN_NO 8071 CONFIDENCE standard compound; INTERNAL_ID 231; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8097; ORIGINAL_PRECURSOR_SCAN_NO 8096 CONFIDENCE standard compound; INTERNAL_ID 4048 CONFIDENCE standard compound; INTERNAL_ID 8428 CONFIDENCE standard compound; INTERNAL_ID 2613 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Flindersine
C14H13NO2 (227.09462380000002)
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.139 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.140
Torcitabine
C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Torcitabine (2'-Deoxy-L-cytidine) is an antiviral agent. Torcitabine has the potential for chronic hepatitis B virus infection treatment[1][2].
Koenoline
C14H13NO2 (227.09462380000002)
Koenoline is found in herbs and spices. Koenoline is an alkaloid from the root bark of Murraya koenigii (curryleaf tree). Alkaloid from the root bark of Murraya koenigii (curryleaf tree). Koenoline is found in herbs and spices.
2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline
Pyrolysis production from creatine, threonine and glucose in cooked food. Pyrolysis produced from creatine, threonine and glucose in cooked food. D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Lansine
Lansine is found in fruits. Lansine is an alkaloid from the leaves of Clausena lansium (wampee
Mukoline
C14H13NO2 (227.09462380000002)
Mukoline is found in herbs and spices. Minor alkaloid from roots of Murraya koenigii (curryleaf tree). Minor alkaloid from roots of Murraya koenigii (curryleaf tree). Mukoline is found in herbs and spices.
Mukeic acid
Mukeic acid is found in herbs and spices. Mukeic acid is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree
2-Amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline
2-Amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline is found in animal foods. 2-Amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline is isolated from beef extract. Isolated from beef extract. 2-Amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline is found in animal foods.
2-Amino-3,7,8-trimethylimidazo(4,5-f)quinoxaline
Cytosine deoxyribonucleoside
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-1,4-dihydropyrimidin-2-ol belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. Pyrimidine 2'-deoxyribonucleosides are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2. 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-1,4-dihydropyrimidin-2-ol is an extremely weak basic (essentially neutral) compound (based on its pKa). This compound has been identified in human blood as reported by (PMID: 31557052 ). Cytosine deoxyribonucleoside is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Cytosine deoxyribonucleoside is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. Cytosine deoxyribonucleoside, commonly referred to as deoxycytidine, is a nucleoside consisting of deoxyribose (a sugar) and cytosine (a nitrogenous base). It is an essential component of DNA and plays several critical roles in biological systems. Here is a detailed description of its biological functions: DNA Synthesis: Deoxycytidine is a key building block for the synthesis of DNA. During DNA replication, deoxycytidine is incorporated into the growing DNA strand as deoxycytidine monophosphate (dCMP), which is then converted to deoxycytidine triphosphate (dCTP) by cellular kinases. dCTP serves as a substrate for DNA polymerase, which adds deoxycytidine to the nascent DNA strand according to the base-pairing rule (cytosine pairs with guanine). DNA Repair: Deoxycytidine is involved in the DNA repair process. When DNA is damaged by environmental factors or errors during replication, repair mechanisms such as base excision repair, nucleotide excision repair, and mismatch repair utilize deoxycytidine to correct the lesions and restore the DNA to its original sequence. Genetic Coding: As part of the DNA molecule, deoxycytidine contributes to the genetic code. The sequence of nucleotides, including deoxycytidine, in DNA determines the sequence of amino acids in proteins, which ultimately dictates the structure and function of proteins and, consequently, the phenotype of the organism. Gene Expression: Deoxycytidine is also involved in gene expression. The presence of cytosine in specific sequences can lead to the formation of methyl groups (DNA methylation), which can regulate gene expression by either promoting or repressing the transcription of genes. Antiviral and Anticancer Therapy: Deoxycytidine analogs, such as cytarabine (ara-C) and zidovudine (AZT), are used in antiviral and anticancer therapies. These analogs can be incorporated into the viral or cancer cell DNA, leading to chain termination or other disruptions in DNA synthesis and function. Cellular Metabolism: Deoxycytidine can be phosphorylated to form deoxycytidine monophosphate (dCMP), deoxycytidine diphosphate (dCDP), and deoxycytidine triphosphate (dCTP). These phosphorylated forms are intermediates in the metabolic pathways of nucleotide synthesis and can be used for energy transfer within the cell. Nucleotide Pool Homeostasis: Deoxycytidine is part of the deoxynucleotide pool within the cell. Maintaining a balance of deoxynucleotides is crucial for various cellular processes, including DNA synthesis, repair, and regulation of gene expression. Enzymes such as nucleotide kinases, nucleotide phosphatases, and nucleoside transporters help regulate the levels of deoxycytidine and its phosphorylated forms.
Dexelvucitabine
C9H10FN3O3 (227.07061620000002)
Dinaline
C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
2-Nitro-alpha-((1-propenyloxy)methyl)imidazole-1-ethanol
N,N-dimethyl-N-(phenylsulfonyl)hydrazonoformamide
C9H13N3O2S (227.07284380000002)
3-phenyl-3-(pyridin-2-yl)propanoic acid
C14H13NO2 (227.09462380000002)
7-Methoxy-6-methyl-9H-carbazol-3-ol
C14H13NO2 (227.09462380000002)
3-Methyl-6-methoxy-9H-carbazole-1-ol
C14H13NO2 (227.09462380000002)
4-amino-1-(3,5-dihydroxy-tetrahydro-pyran-2-yl)-1H-pyrimidin-2-one|Pentopyranin
N-methoxy-3-hydroxymethylcarbazole
C14H13NO2 (227.09462380000002)
5-[(1H-indol-3-yl)methylidene]imidazolidine-2,4-dione
5-(4-methoxymethylfuran-2-yl)-1H-indole|5-[4-(methoxymethyl)furan-2-yl]indole|raputimonoindole C
C14H13NO2 (227.09462380000002)
3,7-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one
N-[2-(hydroxymethyl)phenyl]benzamide
C14H13NO2 (227.09462380000002)
7-hydroxy-1-methoxy-3-methylcarbazole
C14H13NO2 (227.09462380000002)
2-Methylaminobenzoic acid phenyl ester
C14H13NO2 (227.09462380000002)
1,7-Dihydroxyacridone
1,7-Dihydroxyacridone is a natural product found in Boronia lanceolata with data available.
Methyl 2-phenyl-2-(pyridin-2-yl)acetate
C14H13NO2 (227.09462380000002)
tulobuterol
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents Tulobuterol (C-78 free base) is a long-acting β2-adrenoceptor agonist, which reduces the frequency of exacerbations of chronic obstructive pulmonary disease and bronchial asthma. Tulobuterol is also a sympathomimetic agent used as a transdermal patch, and increases normal diaphragm muscle strength[1].
2-(4-aminophenyl)-2-phenylacetic acid
C14H13NO2 (227.09462380000002)
Ametryn
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3034
2-Deoxycytidine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite A pyrimidine 2-deoxyribonucleoside having cytosine as the nucleobase. C26170 - Protective Agent > C2459 - Chemoprotective Agent COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 2'-Deoxycytidine, a deoxyribonucleoside, can inhibit biological effects of Bromodeoxyuridine (Brdu). 2'-Deoxycytidine is essential for the synthesis of nucleic acids, that can be used for the research of cancer[1][2]. 2'-Deoxycytidine, a deoxyribonucleoside, could inhibit biological effects of Bromodeoxyuridine (Brdu).
Deoxycytidine
2'-Deoxycytidine, a deoxyribonucleoside, can inhibit biological effects of Bromodeoxyuridine (Brdu). 2'-Deoxycytidine is essential for the synthesis of nucleic acids, that can be used for the research of cancer[1][2]. 2'-Deoxycytidine, a deoxyribonucleoside, could inhibit biological effects of Bromodeoxyuridine (Brdu).
NPE_228.1019_12.4
C14H13NO2 (227.09462380000002)
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1112
2-N-denrthyl-N-3-methylaplysinopsin
Origin: Animal; SubCategory_DNP: Aminoacids, Cyclic amino acids, Aromatic amino acids
N-Tosylbutylamine
C11H17NO2S (227.09799420000002)
CONFIDENCE standard compound; INTERNAL_ID 1337; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8734; ORIGINAL_PRECURSOR_SCAN_NO 8731 CONFIDENCE standard compound; INTERNAL_ID 1337; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8743; ORIGINAL_PRECURSOR_SCAN_NO 8740 CONFIDENCE standard compound; INTERNAL_ID 1337; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8774; ORIGINAL_PRECURSOR_SCAN_NO 8771 CONFIDENCE standard compound; INTERNAL_ID 1337; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8765; ORIGINAL_PRECURSOR_SCAN_NO 8763 CONFIDENCE standard compound; INTERNAL_ID 1337; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8779; ORIGINAL_PRECURSOR_SCAN_NO 8776
Di-meiqx
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
2-Amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline
(2-Aminophenyl)(3-methoxyphenyl)methanone
C14H13NO2 (227.09462380000002)
3-(TERT-BUTOXYCARBONYL)-3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLIC ACID
2-cyclohex-2-en-1-ylisoindole-1,3-dione
C14H13NO2 (227.09462380000002)
Methyl 4-amino-[1,1-biphenyl]-3-carboxylate
C14H13NO2 (227.09462380000002)
2-aminomethylbiphenyl-2-carboxylic acid
C14H13NO2 (227.09462380000002)
tert-Butyl 5-methyl-2,4-dioxopiperidine-1-carboxylate
Piperidin-4-ylmethyl-pyridin-2-yl-amine hydrochloride
[1,2,4]Triazolo[4,3-a]quinolin-8-ol,1-ethyl-5-methyl-(9CI)
2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE
4-FLUORO-3-(METHOXY(METHYL)CARBAMOYL)PHENYLBORONIC ACID
4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
(2S,4S)-4-Phenylpyrrolidine-2-carboxylic acid hydrochloride
N-Isobutyltetrahydrothiophene-3-amine-1,1-dioxide hydrochloride
7-Methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
C14H13NO2 (227.09462380000002)
2-(1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL)ACETIC ACID HYDROCHLORIDE
3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine
2-PYRIDIN-3-YL-BENZOIC ACID ETHYL ESTER
C14H13NO2 (227.09462380000002)
3,6-DIHYDRO-1-METHYL-3-METHYLENE-SPIRO[3H-INDOLE-3,2-[2H]PYRAN]-2(1H)-ONE
C14H13NO2 (227.09462380000002)
Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate
METHYL 2-AMINO-2,3-DIHYDRO-1H-INDENE-2-CARBOXYLATE HYDROCHLORIDE
8-FLUORO-10,11-DIHYDRO-BENZO[4,5]CYCLOHEPTA[1,2-B]PYRIDIN-5-ONE
Methyl 1,2,3,4-tetrahydroisoquinoline-4-carboxylate
3-Deoxycytidine
4-Amino-1-((2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one (3'-Deoxycytidine) is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Benzenesulfonamide,5-(1,1-dimethylethyl)-2-methyl-
C11H17NO2S (227.09799420000002)
(1R,4R)-4-(Boc-aMino)cyclopent-2-enecarboxylic acid
cis-2-tert-Butoxycarbonylaminocyclopent-3-ene-1-carboxylic acid
4-(Cyclopropylmethoxy)picolinimidamide hydrochloride
[1-(4-chloropyrimidin-2-yl)piperidin-3-yl]methanol
methyl 3-(2-methoxy-2-oxoethyl)-5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate
2-PHENYL-4,5,6,7-TETRAHYDRO-ISOINDOLE-1,3-DIONE
C14H13NO2 (227.09462380000002)
([AMINO(IMINO)METHYL]AMINO)[3,5-DI(TRIFLUOROMETHYL)PHENYL]DIOXO-LAMBDA6-SULFANEHYDRATE
2-(2-FORMYL-1H-PYRROL-1-YL)-4-METHOXYNICOTINONITRILE
2-HYDROXY-N-METHYL-[1,1-BIPHENYL]-3-CARBOXAMIDE
C14H13NO2 (227.09462380000002)
4-HYDROXY-N-METHYL-[1,1-BIPHENYL]-3-CARBOXAMIDE
C14H13NO2 (227.09462380000002)
(1S,5R)-tert-Butyl 7-oxo-6-oxa-2-azabicyclo[3.2.1]octane-2-carboxylate
N-phenyl-N-prop-2-enylfuran-2-carboxamide
C14H13NO2 (227.09462380000002)
3-((TERT-BUTOXYCARBONYL)AMINO)FURAN-2-CARBOXYLIC ACID
5,6,7,8-tetrahydroacridine-9-carboxylate
C14H13NO2 (227.09462380000002)
2-[(4-METHYLPHENYL)AMINO]BENZOIC ACID
C14H13NO2 (227.09462380000002)
2-(2-Pyridyl)ethyltrimethoxysilane
C10H17NO3Si (227.09776520000003)
6-CHLORO-N-ISOBUTYL-N-METHYLPYRIDAZINE-3-CARBOXAMIDE
Methyl 4-amino-[1,1-biphenyl]-4-carboxylate
C14H13NO2 (227.09462380000002)
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-2-carboxylic acid
(1,2,3,4-Tetrahydro-2-isoquinolyl)acetic acid hydrochloride
4-Methylene-1-{[(2-methyl-2-propanyl)oxy]carbonyl}proline
2-TERT-BUTOXYCARBONYLAMINO-PENT-4-YNOIC ACID METHYL ESTER
METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLATE HCL
2-AMINOINDAN-2-CARBOXYLIC ACID HYDROCHLORIDE
C14H13NO2 (227.09462380000002)
(1s,4r)-4-{[(tert-butoxy)carbonyl]amino}cyclopent-2-ene-1-carboxylic acid
Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate
C9H13N3O2S (227.07284380000002)
1-ethyl-3-methyl-4-nitro-1h-pyrazole-5-carboxylic acid ethyl ester
Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 10-methyl-
Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1R,2S)-rel-
1-((TERT-BUTOXYCARBONYL)AMINO)CYCLOPENT-3-ENECARBOXYLIC ACID
(3-Fluoro-4-((2-hydroxyethyl)carbamoyl)phenyl)boronic acid
Benzeneacetic acid, a-(phenylamino)-
C14H13NO2 (227.09462380000002)
Methyl 3-amino-3-biphenylcarboxylate
C14H13NO2 (227.09462380000002)
METHYL 2-(5-MORPHOLINO-2H-1,2,3,4-TETRAAZOL-2-YL)ACETATE
(4-((Phenylamino)methyl)phenyl)boronic acid
C13H14BNO2 (227.11175340000003)
METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLATE HYDROCHLORIDE
dibutyl(2-chloroethyl)ammonium chloride
C10H23Cl2N (227.12074579999998)
2-ethyl-4-nitro-5-propylpyrazole-3-carboxylic acid
3-ETHYL-1-METHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
ethyl (3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetate
1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
1,8-Dihydro-8,8-dimethylpyrano[2,3]quinolin-2-one
C14H13NO2 (227.09462380000002)
Pyrido[2,3-b][1,6]naphthyridine, 7-acetyl-6,7,8,9-tetrahydro- (9CI)
5-(tert-Butoxycarbonyl)-5-azaspiro[2.3]hexane-1-carboxylic acid
Benzenesulfonamide,N-(1,1-dimethylethyl)-4-methyl-
C11H17NO2S (227.09799420000002)
N-[(Trimethoxysilyl)methyl]aniline
C10H17NO3Si (227.09776520000003)
Ethyl 2-amino-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
(1R,4S)-N-Boc-4-Aminocyclopent-2-Enecarboxylic Acid
tert-butyl 3-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate
(S)-2-(1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL)ACETIC ACID HYDROCHLORIDE
CYCLOPROPANECARBOXYLIC ACID, 1-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-2-ETHENYL-, (1S,2S)-
Methyl 3-amino-4-biphenylcarboxylate
C14H13NO2 (227.09462380000002)
(1R,2S)-1-(tert-butoxycarbonylamino)-2-vinylcyclopropanecarboxylic acid
2-(Methylamino)biphenyl-3-carboxylic acid
C14H13NO2 (227.09462380000002)
4-(Methylamino)biphenyl-3-carboxylic acid
C14H13NO2 (227.09462380000002)
3-(Methylamino)biphenyl-3-carboxylic acid
C14H13NO2 (227.09462380000002)
2,5-DIMETHOXY-4-METHYLTHIOPHENYLETHYLAMIN
C11H17NO2S (227.09799420000002)
Carbamic acid,N-phenyl-,phenylmethyl ester
C14H13NO2 (227.09462380000002)
Potassium triisopropoxyborohydride
C9H21BKO3 (227.12207460000002)
1-fluoro-2,4,6-trimethylpyridinium tetrafluoroborate
N1-ETHYL-2-[(4-METHYLPHENYL)SULFONYL]ETHAN-1-AMINE
C11H17NO2S (227.09799420000002)
1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylic Acid
4-(benzyloxy)-3,3-difluoropiperidine
C12H15F2NO (227.11216439999998)
(NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine
C14H13NO2 (227.09462380000002)
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-ynoic acid
1-[5-(BENZYLOXY)PYRIDIN-2-YL]ETHANONE
C14H13NO2 (227.09462380000002)
4-(1-AMINOCYCLOPROPYL)BENZOIC ACID METHYL ESTER HYDROCHLORIDE
6-Benzyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-ynoate
1,2,3,4-Tetrahydro-Quinoline-7-Carboxylic Acid Methyl Ester Hydrochloride
Benzenesulfonamide,4-methyl-N-(2-methylpropyl)-
C11H17NO2S (227.09799420000002)
2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
METHYL 5-AMINO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLATE HYDROCHLORIDE
Ethyl (2S)-2-indolinecarboxylate hydrochloride (1:1)
3-QUINOLIN-4-YL-ACRYLIC ACID ETHYL ESTER
C14H13NO2 (227.09462380000002)
Thieno[2,3-b]pyridine, 2,3-dihydro-6-methyl-4-phenyl- (9CI)
Phenol,4-[[(4-methoxyphenyl)methylene]amino]-
C14H13NO2 (227.09462380000002)
2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID HCL
Methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate hydrochloride
(1R,5S)-3-tert-butoxycarbonyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
4-Quinolinecarboxylicacid,2-cyclopropyl-6-methyl-(9CI)
C14H13NO2 (227.09462380000002)
4-Methylpyrimido[1,2-a]benzimidazole-3-carboxylic acid
4-ETHYL-6-METHOXY-1,2,3,4-TETRAHYDROISOQUINOLINEHYDROCHLORIDE
(4-Fluoro-3-((2-hydroxyethyl)carbamoyl)phenyl)boronic acid
2-PIPERAZIN-1-YL-THIAZOLE-5-CARBOXYLIC ACID METHYL ESTER
C9H13N3O2S (227.07284380000002)
Benzoic acid,2-[(phenylmethyl)amino]-
C14H13NO2 (227.09462380000002)
1-Boc-1,2,5,6-tetrahydropyridine-3-carboxylic acid
(2-((PHENYLAMINO)METHYL)PHENYL)BORONIC ACID
C13H14BNO2 (227.11175340000003)
(1S,3S,5S)-2-(tert-butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
Tert-butyl 2-amino-4,5-dimethylthiophene-3-carboxyla
C11H17NO2S (227.09799420000002)
2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]amino]ethanol
(5R)-6-Cyano-5-hydroxy-3-oxo-hexanoic Acid tert-Butyl Ester
N,N-Diethyl-p-toluenesulfonamide
C11H17NO2S (227.09799420000002)
2-AMINO-5-METHYL-BIPHENYL-3-CARBOXYLIC ACID
C14H13NO2 (227.09462380000002)
2-(4-HYDROXY-PHENYL)-N-PHENYL-ACETAMIDE
C14H13NO2 (227.09462380000002)
methyl 2-(4-(pyridin-2-yl)phenyl) acetate
C14H13NO2 (227.09462380000002)
dimetofrine
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
3-fluoro-4-(2-dimethylamine-ethoxy)-phenylboronic acid
C10H15BFNO3 (227.11289620000002)
Methyl 4-amino-[1,1’-biphenyl]-2-carboxylate
C14H13NO2 (227.09462380000002)
1,2,3,4-tetrahydro-3-methyl-8-quinolinesulfonic acid
3-fluoro-4-(4-methyl-1H-pyrazol-1-yl)aniline
C10H11ClFN3 (227.06254879999997)
(S)-METHYL 3-AMINO-2,3-DIHYDRO-1H-INDENE-5-CARBOXYLATE HYDROCHLORIDE
6-Methyl-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid hydrochloride
7-Methyl-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid hydrochloride
(1r,4r)-4-((2-chloropyriMidin-4-yl)aMino)cyclohexanol
cis-2-Phenyl-pyrrolidine-3-carboxylic acid hydrochloride
1,2,3,4 tetrahydro-5-Methoxy-N- Methyl 2-napthalenamine HCl
4-(Methylamino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester
C9H13N3O2S (227.07284380000002)
(R)-2-(1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL)ACETIC ACID HYDROCHLORIDE
4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxamide
N-tert-butyl-1-phenylmethanesulfonamide
C11H17NO2S (227.09799420000002)
[1S-, 2R-, 5R-]3-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 3-tert-butyl ester
1-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)methanimine
[3-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]boronic acid
2-FLUORO-5-(METHOXY(METHYL)CARBAMOYL)PHENYLBORONIC ACID
[3-(anilinomethyl)phenyl]boronic acid
C13H14BNO2 (227.11175340000003)
4-Phenylpyridine-2-carboxylic acid ethyl ester
C14H13NO2 (227.09462380000002)
3-(Dimethylamino)-1-(4-methylphenyl)propan-1-one Hydrochloride
trans-4-Phenyl-pyrrolidine-3-carboxylic acid hydrochloride
2-[4-(2-CHLORO-4-NITROPHENYL)PIPERAZIN-1-YL]-ETHANOL
4-Chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
4-[5-(1H-1,2,4-Triazol-1-Ylmethyl)-1H-1,2,4-Triazol-3-yl]Pyridine
2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
2-chloro-3-[2-(hydroxymethyl)pyrrolidin-1-yl]phenol
AMINO-(4-HYDROXY-3,5-DIMETHOXY-PHENYL)-ACETIC ACID
5-P-TOLYL-1-VINYL-1 H-PYRROLE-2-CARBOXYLIC ACID
C14H13NO2 (227.09462380000002)
6,7-Dimethoxy-3,4-dihydroisoquinoline hydrochloride
Diphenan
C14H13NO2 (227.09462380000002)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Methyl 1,2,3,4-tetrahydroisoquinoline-5-carboxylate hydrochloride
Methyl 1,2,3,4-tetrahydro-8-isoquinolinecarboxylate hydrochloride (1:1)
Osilodrostat
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02C - Antiadrenal preparations > H02CA - Anticorticosteroids C471 - Enzyme Inhibitor
Elvucitabine
C9H10FN3O3 (227.07061620000002)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
Dexelvucitabine
C9H10FN3O3 (227.07061620000002)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
1,5-Methano-1H-3-benzazepine, 2,3,4,5-tetrahydro-7-(trifluoromethyl)-, (1R,5S)-
C12H12F3N (227.09217879999997)
CP-601927 is a selective α4β2 nicotinic acetylcholine receptor (nAChR) partial agonist (Ki=1.2 nM; EC50=2.6 μM). CP-601927 shows good brain penetration and antidepressant-like properties[1][2].
(18F)fluoroethyltyrosine
V - Various > V09 - Diagnostic radiopharmaceuticals > V09I - Tumour detection C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate
9-Acetyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
C14H13NO2 (227.09462380000002)
MS7972 is a small molecule that blocks human p53 and CREB binding protein association. MS7972 can almost completely block this BRD interaction at 50 μM[1].
(1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid
C9H13N3O2S (227.07284380000002)
4-(6,7-Dihydro-5h-pyrrolo[1,2-c]imidazol-5-yl)-3-fluorobenzonitrile
2-Nitro-alpha-((1-propenyloxy)methyl)imidazole-1-ethanol
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid
2,3-Dihydroindol-1-yl-(1-methyl-4-pyrazolyl)methanone
3-methyl-N-(1H-pyrrol-2-ylmethylene)benzohydrazide
1-(Dimethylamino)-3-[(4-fluorophenyl)methyl]thiourea
C10H14FN3S (227.08924159999998)
(S)-3-Oxo-N-(2-oxotetrahydrofuran-3-yl)heptanamide
5-(1H-indol-3-ylmethylidene)imidazolidine-2,4-dione
5-Ethyl-3-methyl-1,5-dihydro-4H-pyrazolo[4,3-C]quinolin-4-one
(1R,8S)-3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-amine
C12H12F3N (227.09217879999997)
(2S)-2-Ammonio-3-[5-(2-methyl-2-propanyl)-3-oxido-1,2-oxazol-4-yl]propanoate
4-[(3-Methylthiophen-2-yl)methylamino]-4-oxobutanoic acid
(1R,10aS)-1,4,10,10a-Tetrahydrophenazine-1-carboxylate
A monocarboxylic acid anion that is the conjugate base of (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2-(Hydroxymethyl)-3-(2-oxo-2-hydroxyethyl)-4-(3-oxo-3-hydroxypropyl)-1H-pyrrole
4-amino-7,8,9,10-tetrahydro-6H-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile
2-methoxy-6-[(E)-2-(pyridin-2-yl)ethenyl]phenol
C14H13NO2 (227.09462380000002)
2-[(3-Methyl-5-oxo-4-pyrazolyl)hydrazo]benzonitrile
(E)-1-(2,6-difluorophenyl)ethan-1-one O-(sec-butyl) oxime
C12H15F2NO (227.11216439999998)
3-[2-(2-Hydroxyphenoxy)ethylamino]propane-1,2-diol
2-(1-Cyclopropyliminoethyl)indene-1,3-dione
C14H13NO2 (227.09462380000002)
4-Methyl meiqx
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
(1-methoxy-9H-carbazol-3-yl)methanol
C14H13NO2 (227.09462380000002)
CP-601932
C12H12F3N (227.09217879999997)
CP-601932 ((1S,5R)-CP-601927) is a high-affinity partial agonist at α3β4 nAChR (Ki=21?nM; EC50=~ 3?μM). CP-601932 has the same high-binding affinity at α4β2 nAChR (Ki=21?nM) and an order of magnitude lower affinity for α6 and α7 nAChR subtypes. CP-601932 selectively decreases ethanol but not sucrose consumption and operant self-administration following long-term exposure. CP-601932 can penetrate the CNS[1].
2-[(e)-{[(2-hydroxyphenyl)methyl]imino}methyl]phenol
C14H13NO2 (227.09462380000002)
n-(4-hydroxyphenyl)-2-methylbenzamide
C14H13NO2 (227.09462380000002)
(2-methoxy-9h-carbazol-3-yl)methanol
C14H13NO2 (227.09462380000002)
6methoxy-2-methyl-beta-carbolinium cation
C14H15N2O (227.11843199999998)
{"Ingredient_id": "HBIN012505","Ingredient_name": "6methoxy-2-methyl-beta-carbolinium cation","Alias": "NA","Ingredient_formula": "C14H15N2O","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31565","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-({[(2-hydroxyphenyl)methyl]imino}methyl)phenol
C14H13NO2 (227.09462380000002)
(1r,4r)-1-[(2s)-2-amino-2-carboxyethyl]-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
5-[4-(methoxymethyl)furan-2-yl]-1h-indole
C14H13NO2 (227.09462380000002)
(3r)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione
(2r)-2-amino-3-[(r)-phenylmethanesulfinyl]propanoic acid
3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione
(6z)-5-hydroxy-3-(1-hydroxyethyl)-6-isopropyl-2,3-dihydro-1,4-oxazocin-8-one
6-methoxy-3-methyl-9h-carbazol-2-ol
C14H13NO2 (227.09462380000002)
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyrimidin-2-ol
2-hydroxy-4-(hydroxymethyl)indeno[2,1-b]pyridin-9-one
2-hydroxy-4-(hydroxymethyl)indeno[1,2-b]pyridin-5-one
6-(3-methylbuta-1,3-dien-1-yl)-1h-indole-3-carboxylic acid
C14H13NO2 (227.09462380000002)
(7r,7ar)-7,7a-dimethoxy-1-(methoxymethyl)-6,7-dihydro-5h-pyrrolizin-3-one
(2r)-2-[(5s,6s)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carbonyloxy]propanoic acid
8-methoxy-6-methyl-9h-carbazol-2-ol
C14H13NO2 (227.09462380000002)
(3s)-3-hydroxy-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione
8-methoxy-3-methyl-9h-carbazol-2-ol
C14H13NO2 (227.09462380000002)
5-methoxy-3-methyl-9h-carbazol-2-ol
C14H13NO2 (227.09462380000002)