Exact Mass: 529.1664816

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent The (13S)-diastereomer of 13-dihydrodaunorubicin. An aminoglycoside antibiotic that is (1S,3S)-3,5,12-trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene having a 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl residue attached at position 1 via a glycosidic linkage.

dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose

dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-D-glucose; dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose

C17H29N3O12P2 (529.1226414)

A pyrimidine nucleotide-sugar having thymine as the nucleobase and 4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose as the sugar component.

Nilotinib

4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide

C28H22F3N7O (529.1837838)

Nilotinib, also known as AMN107, is a tyrosine kinase inhibitor under investigation as a possible treatment for chronic myelogenous leukemia (CML). In June 2006, a Phase I clinical trial found nilotinib has a relatively favorable safety profile and shows activity in cases of CML resistant to treatment with imatinib (Gleevec®), another tyrosine kinase inhibitor currently used as a first-line treatment. [Wikipedia] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor

O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose

N-[(2R,3R,4S,5R)-3-{[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5,6-trihydroxy-1-oxohexan-2-yl]ethanimidate

O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose is a milk oligosaccharide alditol derived from mucin glycoprotein detected with High-performance anion exchange-chromatography. (PMID: 1799211). This oligosaccharide alditol is also found in purified human bronchial mucins. (PMID: 1337867) This O-glycan is present in normal human mucins along the intestinal tract. (PMID: 15361072). O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose is a milk oligosaccharide alditol derived from mucin glycoprotein detected with High-performance anion exchange-chromatography. (PMID: 1799211)

Lewis X trisaccharide

N-[(2R,3R,4R,5R)-5,6-Dihydroxy-1-oxo-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-2-yl]ethanimidate

Lewis X trisaccharide is a common oligosaccharide involved in the terminal glycosylation of oligosaccharide chains of glycoconjugates and as such play a major role in the antigenic properties of cell surfaces and in the changing carbohydrates profiles that occur on cell maturation and in malignancy. Lewis X present in human milk can bind to DC-specific ICAM3-grabbing non-integrin and thereby prevent the capture and subsequent transfer of HIV-1 to CD4+ T lymphocytes. The presence of such a DC-specific ICAM3-grabbing non-integrin-binding molecule in human milk may both influence antigenic presentation and interfere with pathogen transfer in breastfed infants. Lewis X is a promising urine marker for bladder cancer surveillance in urothelial cell carcinoma patients. (PMID: 11278542; 11300757; 15184372; 15242599; 15845541; 16239964; 16773661; 9490204, 16217395) [HMDB] Lewis X trisaccharide is a common oligosaccharide involved in the terminal glycosylation of oligosaccharide chains of glycoconjugates and as such play a major role in the antigenic properties of cell surfaces and in the changing carbohydrates profiles that occur on cell maturation and in malignancy. Lewis X present in human milk can bind to DC-specific ICAM3-grabbing non-integrin and thereby prevent the capture and subsequent transfer of HIV-1 to CD4+ T lymphocytes. The presence of such a DC-specific ICAM3-grabbing non-integrin-binding molecule in human milk may both influence antigenic presentation and interfere with pathogen transfer in breastfed infants. Lewis X is a promising urine marker for bladder cancer surveillance in urothelial cell carcinoma patients. (PMID: 11278542; 11300757; 15184372; 15242599; 15845541; 16239964; 16773661; 9490204, 16217395).

Lewis a trisaccharide

N-[(2R,3R,4R,5R)-5,6-Dihydroxy-1-oxo-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-2-yl]ethanimidate

C24H27N5O9 (529.1808692000001)

Lewis a trisaccharide is a fucosyloligosaccharide present in human milk and colostrum. Human colostrum is known to be important for the protection of infants against infection by pathogenic microorganisms. This protection is thought to be due, partially, to various neutral and acidic oligosaccharides that are present in colostrum and milk. Moderate-to-severe diarrhea of all causes occurs less often in infants whose milk contains high levels of total 2-linked fucosyloligosaccharides as a percent of milk oligosaccharide. The trisaccharide Lewis a trisaccharide is identical with the structure for the specific determinant in Lea substance, and strongly inhibits the agglutination of Lea erythrocytes by a human anti-Lea serum. (PMID: 15343178, 17375110, 12568665, 2503806; 3809884; 6809837; 6880139; 7701811; 8662894; 8914840; 8943285) [HMDB] Lewis a trisaccharide is a fucosyloligosaccharide present in human milk and colostrum. Human colostrum is known to be important for the protection of infants against infection by pathogenic microorganisms. This protection is thought to be due, partially, to various neutral and acidic oligosaccharides that are present in colostrum and milk. Moderate-to-severe diarrhea of all causes occurs less often in infants whose milk contains high levels of total 2-linked fucosyloligosaccharides as a percent of milk oligosaccharide. The trisaccharide Lewis a trisaccharide is identical with the structure for the specific determinant in Lea substance, and strongly inhibits the agglutination of Lea erythrocytes by a human anti-Lea serum. (PMID: 15343178, 17375110, 12568665, 2503806; 3809884; 6809837; 6880139; 7701811; 8662894; 8914840; 8943285).

Gluten exorphin B4

(2S)-2-({[2-({[2-({[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}amino)acetyl]oxy}amino)acetyl]oxy}amino)-3-(1H-indol-3-yl)propanoic acid

Gluten exorphin B4 is a tetrapeptide with the sequence Tyr-Gly-Gly-Trp. Gluten exorphins are a group of opioid peptides which are formed during digestion of the gluten protein. It has been hypothesized that people with autism and schizophrenia have abnormal leakage from the gut of these compounds, which then pass into the brain and disrupt brain function. This is partly the basis for the gluten-free, casein-free diet. The scientific evidence for this diet and its effects is still disputed.

Bosutinib

4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

C26H29Cl2N5O3 (529.1647344)

Bosutinib is a Bcr-Abl kinase inhibitor for the treatment of Philadelphia chromosome-positive (Ph+) chronic myelogenous leukemia (CML). Compared to other tyrosine kinase inhibitors, it has a more favourable hematologic toxicity profile. FDA approved on September 4, 2012 (DB06616). L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

13-Dihydrodaunorubicin

10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

5,12-Naphthacenedione, 10-((4-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-

alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-D-Galp

N-(2-{[2,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)ethanimidate

a-Trisaccharide

N-[4,5-Dihydroxy-6-(hydroxymethyl)-2-({4,5,6-trihydroxy-1-oxo-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexan-3-yl}oxy)oxan-3-yl]ethanimidate

Galbeta1-3(Fucalpha1-4)GlcNAcbeta

N-[2-Hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]ethanimidate

Globo-H

N-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)ethanimidate

H Type II trisaccharide

N-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl)ethanimidate

N-((2'R)-2'-Deoxy-2'-fluoro-2'-methyl-p-phenyl-5'-uridylyl)-L-alanine 1-methylethyl ester

2-((5-(2,4-Dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-ylmethoxy)phenoxyphosphorylamino)propionic acid isopropyl ester

C22H29FN3O9P (529.1625366)

Komodoquinone A

An anthracycline that is komodoquinone B in which the hydroxy group at position 1 is replaced by a 3,6-dideoxy-3-(dimethylamino)-alpha-L-galactopyranoside group. First isolated from the marine bacterium Streptomyces sp. KS3, it induces neuronal cell differentiation in the neuroblastoma cell line.

2-(7-methyl-2,4-dioxo-10-D-ribitol-1-yl-2,3,4,10-tetrahydro-benzo[g]pteridin-8-ylmethyl)-histidine|SD-Riboflavin (8-alpha-(N-Histidyl)-Riboflavin)

C23H27N7O8 (529.1921022)

Xanthurat-4.8-diglucosid

C22H27NO14 (529.1431482)

Daunomycin

C26H27NO11 (529.1584032000001)

fumiquinazoline N

C28H27N5O6 (529.1961242)

(Z)-N6-(5-(3-((1-carboxy-2-(4-hydroxyphenyl)ethyl)amino)-2-methoxy-3-oxoprop-1-en-1-yl)-2-hydroxybenzoyl)lysine

C26H31N3O9 (529.2060196)

Antibiotic D 788-10

SCHEMBL14928095

3-(8-methyl-2,4-dioxo-10-D-ribitol-1-yl-2,3,4,10-tetrahydro-benzo[g]pteridin-7-ylmethyl)-histidine|8alpha-(N1-His)Riboflavin|8alpha-[5-(2-amino-2-carboxy-ethyl)-imidazol-1-yl]-riboflavin

C23H27N7O8 (529.1921022)

Nilotinib

4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-benzamide

C28H22F3N7O (529.1837838)

L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3588

Bosutinib (SKI-606)

C26H29Cl2N5O3 (529.1647344)

Nilotinib (AMN-107)

C28H22F3N7O (529.1837838)

Cys Asp His Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

Cys Asp Arg His

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butyl]carbamoyl}propanoic acid

Cys Phe Phe Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-phenylpropanamido]-3-carbamoylpropanoic acid

C25H31N5O6S (529.1994946)

Cys Phe Asn Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]-3-phenylpropanoic acid

C25H31N5O6S (529.1994946)

Cys His Asp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoic acid

Cys His Arg Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]butanedioic acid

Cys Met Asn Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

Cys Met Tyr Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoic acid

Cys Asn Phe Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]-3-phenylpropanoic acid

C25H31N5O6S (529.1994946)

Cys Asn Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

Cys Asn Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

Cys Arg Asp His

(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

Cys Arg His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

Cys Tyr Met Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid

Cys Tyr Asn Met

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoic acid

Asp Cys His Arg

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

Asp Cys Arg His

(3S)-3-amino-3-{[(1R)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

Asp His Cys Arg

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid