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CHEBI:229218 - nirogacestat dihydrobromide

ChEBI IDCHEBI:229218
ChEBI Namenirogacestat dihydrobromide
Stars
DefinitionA hydrobromide salt obtained by reaction of nirogacestat with two equivalents of hydrobromic acid.
Last Modified16 April 2024
SubmitterAdnan
DownloadsMolfile
FormulaC27H41F2N5O.2HBr
Net Charge0
Average Mass651.479
Monoisotopic Mass649.18024
SMILESBr.Br.CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1
InChIInChI=1S/C27H41F2N5O.2BrH/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4;;/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35);2*1H/t20-,23-;;/m0../s1
InChIKeyLXEYYZYDWLAIPW-KBVFCZPLSA-N
Roles Classification
Biological Role:
gamma-secretase modulator  A modulator of γ-secretase, one of the three endopeptidases that are specific for amyloid protein precursor and which have been identified based upon the region of the amyloid protein precursor which they cleave.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
nirogacestat dihydrobromide (CHEBI:229218) has part nirogacestat(2+) (CHEBI:229219)
nirogacestat dihydrobromide (CHEBI:229218) has role antineoplastic agent (CHEBI:35610)
nirogacestat dihydrobromide (CHEBI:229218) has role γ-secretase modulator (CHEBI:48668)
nirogacestat dihydrobromide (CHEBI:229218) is a hydrobromide (CHEBI:48367)
IUPAC Name 
N2-[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1-{1-[(2,2-dimethylpropyl)amino]-2-methylpropan-2-yl}-1H-imidazol-4-yl)-L-norvalinamide dihydrobromide
Synonyms  Source
PF-03084014 hydrobromideChEBI
(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]amino]-N-[1-[2-[(2,2-dimethylpropyl)amino]-1,1-dimethylethyl]-1H-imidazol-4-yl]-pentanamide hydrobromideChEBI
PF 3084014 hydrobromideChEBI
PF 03084014 hydrobromideChEBI
nirogacestat 2HBrChEBI
nirogacestat HBrChEBI
Brand Name  Source
OgsiveoKEGG DRUG
Registry NumbersSources
CAS:1962925-29-6ChEBI
Citations