Exact Mass: 227.1122
Exact Mass Matches: 227.1122
Found 500 metabolites which its exact mass value is equals to given mass value 227.1122,
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
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].
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
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.
N-Octanoyl-L-homoserine lactone
N-(2-oxooxolan-3-yl)octanimidic acid belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. Based on a literature review very few articles have been published on N-(2-oxooxolan-3-yl)octanimidic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). Octanoyl-l-homoserine lactone is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Octanoyl-L-homoserine lactone 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. N-Octanoyl-L-homoserine lactone (OHL) is an important signaling molecule used by many bacteria in a process known as quorum sensing (QS). This process allows bacteria to communicate with each other and coordinate their behavior based on population density. Here are some of the key biological functions of OHL: 1. **Quorum Sensing Signaling**: As a quorum sensing autoinducer, OHL plays a critical role in regulating gene expression in response to changes in cell population density. When the concentration of OHL reaches a certain threshold, it binds to specific receptors, triggering a cascade of cellular responses. 2. **Regulation of Virulence Factors**: In many pathogenic bacteria, OHL is involved in the regulation of virulence factors, which are molecules or proteins that enhance the bacterium's ability to cause disease. By controlling the expression of these factors, OHL can significantly influence the pathogenicity of the bacteria. 3. **Biofilm Formation and Regulation**: Biofilms are structured communities of bacteria that are often encased in a self-produced matrix. OHL can play a role in the initiation, development, and maintenance of biofilms. Biofilms are associated with increased resistance to antibiotics and immune system evasion, making them a significant concern in medical and industrial settings. 4. **Cell Motility and Swarm Behavior**: In some bacteria, OHL is involved in regulating cell motility, which includes the ability to move towards or away from certain stimuli. This can affect the bacteria's ability to colonize new areas or to form biofilms. 5. **Symbiotic Interactions**: OHL is not only important in pathogenic bacteria but also in beneficial interactions, such as those found in nitrogen-fixing bacteria or in symbiotic relationships with plants and animals. Understanding the role of OHL and other quorum sensing molecules is crucial for developing new strategies to control bacterial infections, manage biofilm-related issues, and potentially exploit these systems for beneficial purposes.
2-Nitro-alpha-((1-propenyloxy)methyl)imidazole-1-ethanol
4-amino-1-(3,5-dihydroxy-tetrahydro-pyran-2-yl)-1H-pyrimidin-2-one|Pentopyranin
2-(1,2-pentenyl)-4-methoxyquinoline|4-Methoxy-2-(1-pentenyl)quinoline
5-(4-methoxymethylfuran-2-yl)-1H-indole|5-[4-(methoxymethyl)furan-2-yl]indole|raputimonoindole C
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-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
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1112
C8-homoserine lactone
CONFIDENCE standard compound; INTERNAL_ID 203
N-Tosylbutylamine
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
2-Amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline
3-Ethyl-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
3-(TERT-BUTOXYCARBONYL)-3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLIC ACID
tert-butyl 2,2-dimethyl-4-oxopiperidine-1-carboxylate
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-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester
2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE
2-Acetyl-1-piperidinecarboxylic acid tert-butyl ester
4-FLUORO-3-(METHOXY(METHYL)CARBAMOYL)PHENYLBORONIC ACID
1-(tert-Butoxycarbonyl)-3,3-dimethyl-4-oxopiperidine
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
2-oxa-6-azaspiro[3,5]nonane-6-carboxylic acid tert-butyl ester
tert-Butyl 2,5-Dioxa-8-aza-spiro[3,5]nonane-8-carboxylate
TERT-BUTYL (1-CYCLOBUTYL-3-OXOPROPAN-2-YL)CARBAMATE
2-(1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL)ACETIC ACID HYDROCHLORIDE
3,6-DIHYDRO-1-METHYL-3-METHYLENE-SPIRO[3H-INDOLE-3,2-[2H]PYRAN]-2(1H)-ONE
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
[1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine-4-yl]boronicacid
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-
(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
([AMINO(IMINO)METHYL]AMINO)[3,5-DI(TRIFLUOROMETHYL)PHENYL]DIOXO-LAMBDA6-SULFANEHYDRATE
(1S,5R)-tert-Butyl 7-oxo-6-oxa-2-azabicyclo[3.2.1]octane-2-carboxylate
3-((TERT-BUTOXYCARBONYL)AMINO)FURAN-2-CARBOXYLIC ACID
tert-butyl 5-hydroxy-octahydrocyclopenta[c]pyrrole-2-carboxylate
6-CHLORO-N-ISOBUTYL-N-METHYLPYRIDAZINE-3-CARBOXAMIDE
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-2-carboxylic acid
4-Methylene-1-{[(2-methyl-2-propanyl)oxy]carbonyl}proline
2-TERT-BUTOXYCARBONYLAMINO-PENT-4-YNOIC ACID METHYL ESTER
(1s,4r)-4-{[(tert-butoxy)carbonyl]amino}cyclopent-2-ene-1-carboxylic acid
Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate
1-ethyl-3-methyl-4-nitro-1h-pyrazole-5-carboxylic acid ethyl ester
Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1R,2S)-rel-
1-((TERT-BUTOXYCARBONYL)AMINO)CYCLOPENT-3-ENECARBOXYLIC ACID
tert-butyl 4-(2-hydroxyethylidene)piperidine-1-carboxylate
(3-Fluoro-4-((2-hydroxyethyl)carbamoyl)phenyl)boronic acid
METHYL 2-(5-MORPHOLINO-2H-1,2,3,4-TETRAAZOL-2-YL)ACETATE
2-ethyl-4-nitro-5-propylpyrazole-3-carboxylic acid
3-ETHYL-1-METHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
tert-Butyl 1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
ethyl (3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetate
1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
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
6-benzyl-4,5,7,8-tetrahydro-1H-pyrazolo[3,4-d]azepine
Benzenesulfonamide,N-(1,1-dimethylethyl)-4-methyl-
(1-ETHYL-2,2-DIMETHYL-PROPYL)-HYDRAZINEHYDROCHLORIDE
(1R,4S)-N-Boc-4-Aminocyclopent-2-Enecarboxylic Acid
tert-butyl 3-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate
CYCLOPROPANECARBOXYLIC ACID, 1-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-2-ETHENYL-, (1S,2S)-
tert-butyl 4-hydroxy-6-azaspiro[2.5]octane-6-carboxylate
(1R,2S)-1-(tert-butoxycarbonylamino)-2-vinylcyclopropanecarboxylic acid
1-fluoro-2,4,6-trimethylpyridinium tetrafluoroborate
N1-ETHYL-2-[(4-METHYLPHENYL)SULFONYL]ETHAN-1-AMINE
1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylic Acid
(NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-ynoic acid
Benzenemethanamine,a-methyl-4-(phenylmethoxy)-, (aR)
3-Acetyl-1-piperidinecarboxylic acid tert-butyl ester
6-Benzyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
tert-Butyl 2,6-dimethyl-4-oxopiperidine-1-carboxylate
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-ynoate
Benzenemethanamine,a-methyl-2-(phenylmethoxy)-, (S)-
Benzenemethanamine,a-methyl-2-(phenylmethoxy)-,(R)-
2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
Thieno[2,3-b]pyridine, 2,3-dihydro-6-methyl-4-phenyl- (9CI)
2-[(CYCLOHEXYLCARBONYL)AMINO]-3-METHYLBUTANOIC ACID
(1R,5S)-3-tert-butoxycarbonyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
2-[(Butylamino)carbonyl]cyclohexanecarboxylic acid
4-Quinolinecarboxylicacid,2-cyclopropyl-6-methyl-(9CI)
tert-butyl 4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
4-ETHYL-6-METHOXY-1,2,3,4-TETRAHYDROISOQUINOLINEHYDROCHLORIDE
tert-butyl exo-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine
(4-Fluoro-3-((2-hydroxyethyl)carbamoyl)phenyl)boronic acid
2-PIPERAZIN-1-YL-THIAZOLE-5-CARBOXYLIC ACID METHYL ESTER
1-Boc-1,2,5,6-tetrahydropyridine-3-carboxylic acid
(1S,3S,5S)-2-(tert-butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
Tert-butyl 2-amino-4,5-dimethylthiophene-3-carboxyla
2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]amino]ethanol
(5R)-6-Cyano-5-hydroxy-3-oxo-hexanoic Acid tert-Butyl Ester
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
2-(4-Aminophenyl)-1H-benzimidazol-6-amine conjugate acid
(1r,4r)-4-((2-chloropyriMidin-4-yl)aMino)cyclohexanol
1,2,3,4 tetrahydro-5-Methoxy-N- Methyl 2-napthalenamine HCl
4-(Methylamino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester
(6-Hydroxyspiro[3.3]hept-2-yl)carbamic acid tert-butyl ester
Benzenemethanamine, a-methyl-4-(phenylmethoxy)-, (S)-
[1S-, 2R-, 5R-]3-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 3-tert-butyl ester
[3-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]boronic acid
2-FLUORO-5-(METHOXY(METHYL)CARBAMOYL)PHENYLBORONIC ACID
3-(Dimethylamino)-1-(4-methylphenyl)propan-1-one 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
1H-Imidazole,1-methyl-2-phenyl-5-(1-pyrrolidinyl)-(9CI)
2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
AMINO-(4-HYDROXY-3,5-DIMETHOXY-PHENYL)-ACETIC ACID
Furo[2,3-c]pyridine, 6-ethyl-4,5,6,7-tetrahydro-2-phenyl- (9CI)
Osilodrostat
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02C - Antiadrenal preparations > H02CA - Anticorticosteroids C471 - Enzyme Inhibitor
1,5-Methano-1H-3-benzazepine, 2,3,4,5-tetrahydro-7-(trifluoromethyl)-, (1R,5S)-
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
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
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
(S)-3-Oxo-N-(2-oxotetrahydrofuran-3-yl)heptanamide
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
(2S)-2-Ammonio-3-[5-(2-methyl-2-propanyl)-3-oxido-1,2-oxazol-4-yl]propanoate
(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.
(3S,4Z,6E,8R,9S)-3,9-dihydroxy-4,8-dimethyldeca-4,6-dienoate
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
3-Acetamino-6-isobutyl-2,5-dioxopiperazine
A member of the class of 2,5-diketopiperazines that is 2,5-diketopiperazine substituted by an (aminocarbonyl)methyl group at position 3 and an isobutyl group at position 6. It is isolated from the fungus Cordyceps sinensis and exhibits significant cytotoxicity against L-929, A375 and HeLa cell lines.
2-[(3-Methyl-5-oxo-4-pyrazolyl)hydrazo]benzonitrile
(E)-1-(2,6-difluorophenyl)ethan-1-one O-(sec-butyl) oxime
3-[2-(2-Hydroxyphenoxy)ethylamino]propane-1,2-diol
Cyclohexene, 3-acetamido-6-trimethylsilyloxy-, cis-
4-Methyl meiqx
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
CP-601932
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
(1r,5s)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl 2-methylpropanoate
6methoxy-2-methyl-beta-carbolinium cation
{"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"}
