Nirogacestat
(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
Molecular Identity
Nirogacestat
(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
PubChem CID: 46224413
Nirogacestat is a member of the class of imidazoles that is 1H-imidazole substituted by a 1-[(2,2-dimethylpropyl)amino]-2-methylpropan-2-yl group at position 1 and a {N-[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-L-norvalyl}amino group at position 4. It is a gamma-secretase inhibitor whose hydrobromide salt is indicated for adult patients with progressing desmoid tumours who require systemic treatment. It has a role as an antineoplastic agent and a gamma-secretase modulator. It is a secondary carboxamide, a member of imidazoles, a member of tetralins, an organofluorine compound and a secondary amino compound. It is a conjugate base of a nirogacestat(2+).
2D Structure
Properties
C27H41F2N5O
Molecular Formula
489.60
Molecular Weight
g/mol
489.3279
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
71
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
685
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Nirogacestat1290543-63-3PF-3084014PF 3084014(S)-2-(((S)-6,8-Difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino)-N-(1-(2-methyl-1-(neopentylamino)propan-2-yl)-1H-imidazol-4-yl)pentanamidenirogacestatumPF 03084014QZ62892OFJPF3084014(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide(2S)-2-{[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino}-N-(1-{1-[(2,2-dimethylpropyl)amino]-2-methylpropan-2-yl}-1H-imidazol-4-yl)pentanamide(2S)-2-(((2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino)-N-(1-(1-((2,2-dimethylpropyl)amino)-2-methylpropan-2-yl)-1H-imidazol-4-yl)pentanamide(2S)-2-(((2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino)-N-(1-(1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl)imidazol-4-yl)pentanamideRefChem:854203PF03084014
Data from PubChem (NCBI)
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