CHEBI:82677 - ridaforolimus

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ChEBI Name ridaforolimus
ChEBI ID CHEBI:82677
Definition A semisynthetic derivative that is sirolimus in which hydroxy group attached to the cyclohexyl moiety has been converted to the corresponding dimethylphosphinate.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C53H84NO14P
Net Charge 0
Average Mass 990.20610
Monoisotopic Mass 989.56294
InChI InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49?,53-/m1/s1
InChIKey BUROJSBIWGDYCN-QSRQGROMSA-N
SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)C(OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OP(C)(C)=O
Roles Classification
Biological Role(s): mTOR inhibitor
A protein kinase inhibitor of the mammalian target of rapamycin (mTOR), a protein that regulates cell growth, cell proliferation, cell motility, cell survival, protein synthesis and transcription. mTOR inhibitors are used to prevent transplant rejection and in treatment of cancer.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ridaforolimus (CHEBI:82677) has functional parent sirolimus (CHEBI:9168)
ridaforolimus (CHEBI:82677) has role antineoplastic agent (CHEBI:35610)
ridaforolimus (CHEBI:82677) has role mTOR inhibitor (CHEBI:68481)
ridaforolimus (CHEBI:82677) is a lactol (CHEBI:38131)
ridaforolimus (CHEBI:82677) is a macrolide (CHEBI:25106)
ridaforolimus (CHEBI:82677) is a phosphinic ester (CHEBI:26043)
ridaforolimus (CHEBI:82677) is a semisynthetic derivative (CHEBI:72588)
IUPAC Name
(1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl dimethylphosphinate
INNs Sources
ridaforolimus WHO MedNet
ridaforolimus WHO MedNet
ridaforolimus WHO MedNet
ridaforolimusum WHO MedNet
Synonyms Sources
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-((1R)-2-((1S,3R,4R)-4-((dimethylphosphinoyl)oxy)-3-methoxycyclohexyl)-1-methylethyl)-1,18- dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4- azatricyclo(30.3.1.04,9)hexatriaconta-16,24,26,28-tetraene- 2,3,10,14,20-pentone ChemIDplus
AP 23573 KEGG COMPOUND
AP23573 ChemIDplus
deforolimus KEGG COMPOUND
MK 8669 ChemIDplus
MK-8669 ChemIDplus
rapamycin 42-(dimethylphosphinate) ChemIDplus
sirolimus 42-(dimethylphosphinate) ChEBI
Manual Xrefs Databases
C15183 KEGG COMPOUND
D08900 KEGG DRUG
Ridaforolimus Wikipedia
View more database links
Registry Numbers Types Sources
11886334 Reaxys Registry Number Reaxys
572924-54-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21732754 PubMed citation Europe PMC
22204929 PubMed citation Europe PMC
22291080 PubMed citation Europe PMC
Last Modified
26 August 2014