CHEBI:39112 - bosutinib

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ChEBI Name bosutinib ChEBI ID CHEBI:39112 Definition An aminoquinoline that is 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline bearing additional cyano and methoxy substituents at positions 3 and 6 respectively. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C26H29Cl2N5O3 Net Charge 0 Average Mass 530.44576 Monoisotopic Mass 529.16475 InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) InChIKey UBPYILGKFZZVDX-UHFFFAOYSA-N SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): tyrosine kinase inhibitor Any protein kinase inhibitor that interferes with the action of tyrosine kinase. Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing bosutinib (CHEBI:39112) has role antineoplastic agent (CHEBI:35610) bosutinib (CHEBI:39112) has role tyrosine kinase inhibitor (CHEBI:38637) bosutinib (CHEBI:39112) is a N-methylpiperazine (CHEBI:46920) bosutinib (CHEBI:39112) is a aminoquinoline (CHEBI:36709) bosutinib (CHEBI:39112) is a aromatic ether (CHEBI:35618) bosutinib (CHEBI:39112) is a dichlorobenzene (CHEBI:23697) bosutinib (CHEBI:39112) is a nitrile (CHEBI:18379) bosutinib (CHEBI:39112) is a tertiary amino compound (CHEBI:50996) Incoming bosutinib hydrate (CHEBI:68533) has part bosutinib (CHEBI:39112) IUPAC Name 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Synonyms Sources 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile ChemIDplus Bosutinib KEGG DRUG SKI 606 ChemIDplus SKI-606 ChemIDplus Manual Xrefs Databases 4359 DrugCentral Bosutinib Wikipedia D03252 KEGG DRUG DB8 PDBeChem LSM-1190 LINCS View more database links Registry Numbers Types Sources 380843-75-4 CAS Registry Number ChemIDplus 9100307 Beilstein Registry Number Beilstein 9100307 Reaxys Registry Number Reaxys Citations Types Sources 18483306 PubMed citation Europe PMC 19039322 PubMed citation Europe PMC 19509264 PubMed citation Europe PMC 21148045 PubMed citation Europe PMC 21544849 PubMed citation Europe PMC 21680801 PubMed citation Europe PMC 21691746 PubMed citation Europe PMC 21700731 PubMed citation Europe PMC 21865346 PubMed citation Europe PMC 22031512 PubMed citation Europe PMC 22036634 PubMed citation Europe PMC 22037769 PubMed citation Europe PMC 22065400 PubMed citation Europe PMC 22179664 PubMed citation Europe PMC 22271876 PubMed citation Europe PMC 22311495 PubMed citation Europe PMC 22371878 PubMed citation Europe PMC 22425385 PubMed citation Europe PMC 22462037 PubMed citation Europe PMC 22471705 PubMed citation Europe PMC 22493660 PubMed citation Europe PMC 22588706 PubMed citation Europe PMC 22830347 PubMed citation Europe PMC 22884766 PubMed citation Europe PMC 22915985 PubMed citation Europe PMC 22937303 PubMed citation Europe PMC 22949154 PubMed citation Europe PMC Last Modified 22 February 2017