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PF-03084014

CAT: 1410-M17240-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M17240-02Size:1 mL x 10 mM in DMSO
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Description
PF-03084014 (PF-3084014) is a specific γ-secretase inhibitor (IC50: 6.2 nM, in a cell-free assay) .
CAS Number
1290543-63-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
489.64
Molecular Formula
C27H41F2N5O
Notes
Research use only, not for human use.
Receptor
Γ secretase

Chemical Information

Nirogacestat

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+).

CAS Number1290543-63-3
PubChem CID46224413
IUPAC Name(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 FormulaC27H41F2N5O
Molecular Weight489.6
XLogP4.8
Topological Polar Surface Area71
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count35
Formal Charge0
Complexity685
SMILES
CCC[C@@H](C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C)N[C@H]2CCC3=C(C2)C(=CC(=C3)F)F
InChI
InChI=1S/C27H41F2N5O/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)/t20-,23-/m0/s1
InChIKey
VFCRKLWBYMDAED-REWPJTCUSA-N
Chemical Structure
2D Structure
2D structure of Nirogacestat
CAS: 1290543-63-3
CID: 46224413
Formula: C27H41F2N5O
MW: 489.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.6
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass489.32791727
Monoisotopic Mass489.32791727
Topological Polar Surface Area71 Ų
Heavy Atom Count35
Formal Charge0
Complexity685
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
A3711-100PF-03084014
MBS579460PF-03084014 (PF-3084014)
C13127-1gNirogacestat (PF-03084014)
A11259-10Nirogacestat (PF-03084014) 10mg
A11259-100Nirogacestat (PF-03084014) 100mg
A11259-50Nirogacestat (PF-03084014) 50mg
A11259-1Nirogacestat (PF-03084014) 1mg
A11259-25Nirogacestat (PF-03084014) 25mg
A11259-5Nirogacestat (PF-03084014) 5mg
A11259-10mM-DNirogacestat (PF-03084014) 10mM * 1mL in DMSO

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