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CHEBI:183636 - L-744,832

ChEBI IDCHEBI:183636
ChEBI NameL-744,832
Stars
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of 2-{[(2S,3S)-2-{[(2R)-2-amino-3-sulfanylpropyl]amino}-3-methylpentyl]oxy}-3-phenylpropanoic acid with the amino group of propan-2-yl (2S)-2-amino-4-(methylsulfonyl)butanoate. It is a farnesyltransferase inhibitor that exhibits anticancer properties.
Secondary ChEBI IDCHEBI:125428
Last Modified9 November 2021
SubmitterAdnan
DownloadsMolfile
FormulaC26H45N3O6S2
Net Charge0
Average Mass559.795
Monoisotopic Mass559.27498
SMILESCC[C@H](C)[C@@H](COC(Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS
InChIInChI=1S/C26H45N3O6S2/c1-6-19(4)23(28-15-21(27)17-36)16-34-24(14-20-10-8-7-9-11-20)25(30)29-22(12-13-37(5,32)33)26(31)35-18(2)3/h7-11,18-19,21-24,28,36H,6,12-17,27H2,1-5H3,(H,29,30)/t19-,21+,22-,23+,24?/m0/s1
InChIKeyPGOKBMWPBDRDGN-SIPQYZPLSA-N
Roles Classification
Biological Role:
EC 2.5.1.58 (protein farnesyltransferase) inhibitor  An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of protein farnesyltransferase (EC 2.5.1.58), one of the three enzymes in the prenyltransferase group.
Applications:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
L-744,832 (CHEBI:183636) has role antineoplastic agent (CHEBI:35610)
L-744,832 (CHEBI:183636) has role EC 2.5.1.58 (protein farnesyltransferase) inhibitor (CHEBI:64133)
L-744,832 (CHEBI:183636) has role geroprotector (CHEBI:176497)
L-744,832 (CHEBI:183636) is a benzenes (CHEBI:22712)
L-744,832 (CHEBI:183636) is a ether (CHEBI:25698)
L-744,832 (CHEBI:183636) is a isopropyl ester (CHEBI:35725)
L-744,832 (CHEBI:183636) is a secondary carboxamide (CHEBI:140325)
L-744,832 (CHEBI:183636) is a sulfone (CHEBI:35850)
L-744,832 (CHEBI:183636) is a thiol (CHEBI:29256)
IUPAC Name 
propan-2-yl (2S)-2-(2-{[(2S,3S)-2-{[(2R)-2-amino-3-sulfanylpropyl]amino}-3-methylpentyl]oxy}-3-phenylpropanamido)-4-(methylsulfonyl)butanoate
Synonyms  Source
L-744832ChemIDplus
L 744,832ChemIDplus
L 744832ChemIDplus
L744832ChEBI
Manual XrefsDatabases
LSM-36916LINCS
4953632ChemSpider
Registry NumbersSources
CAS:160141-09-3ChemIDplus
Citations