CHEBI:32181 - tamibarotene

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ChEBI Name tamibarotene ChEBI ID CHEBI:32181 Definition A dicarboxylic acid monoamide resulting from the condensation of one of the carboxy groups of terephthalic acid with the amino group of 5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine. 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 C22H25NO3 Net Charge 0 Average Mass 351.43884 Monoisotopic Mass 351.18344 InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26) InChIKey MUTNCGKQJGXKEM-UHFFFAOYSA-N SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12 Roles Classification Biological Role(s): retinoic acid receptor alpha/beta agonist Any retinoic acid receptor (RAR) agonist with specificity for RARalpha and RARbeta. Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. retinoic acid receptor alpha/beta agonist Any retinoic acid receptor (RAR) agonist with specificity for RARalpha and RARbeta. View more via ChEBI Ontology ChEBI Ontology Outgoing tamibarotene (CHEBI:32181) has functional parent 4-carbamoylbenzoic acid (CHEBI:50738) tamibarotene (CHEBI:32181) has functional parent terephthalic acid (CHEBI:15702) tamibarotene (CHEBI:32181) has role antineoplastic agent (CHEBI:35610) tamibarotene (CHEBI:32181) has role retinoic acid receptor α/β agonist (CHEBI:50741) tamibarotene (CHEBI:32181) is a dicarboxylic acid monoamide (CHEBI:35735) tamibarotene (CHEBI:32181) is a retinoid (CHEBI:26537) tamibarotene (CHEBI:32181) is a tetralins (CHEBI:36786) IUPAC Name 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid Synonyms Sources Am 80 KEGG COMPOUND Am-80 ChEBI retinobenzoic acid DrugBank Tamibarotene KEGG COMPOUND Brand Names Sources Amnoid DrugBank Tamibaro DrugBank Manual Xrefs Databases 3580 DrugCentral A80 PDBeChem C12864 KEGG COMPOUND D01418 KEGG DRUG DB04942 DrugBank HMDB0015605 HMDB LSM-5493 LINCS Tamibarotene Wikipedia View more database links Registry Numbers Types Sources 3564473 Reaxys Registry Number Reaxys 94497-51-5 CAS Registry Number KEGG COMPOUND 94497-51-5 CAS Registry Number ChemIDplus Citations Types Sources 16531727 PubMed citation Europe PMC 17925887 PubMed citation Europe PMC 19182380 PubMed citation Europe PMC 19389933 PubMed citation Europe PMC 19514122 PubMed citation Europe PMC 22014829 PubMed citation Europe PMC 22863914 PubMed citation Europe PMC 23404745 PubMed citation Europe PMC 25448496 PubMed citation Europe PMC Last Modified 22 February 2017