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Nirogacestat (Standard)

CAT: 0804-HY-15185R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15185R-01Size:5 mg
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Description
Nirogacestat (Standard) is the analytical standard of Nirogacestat. This product is intended for research and analytical applications. Nirogacestat (PF-3084014) is a reversible, orally bioavailable, noncompetitive, and selective γ-secretase inhibitor with an IC50 of 6.2 nM. Inhibition of Notch signaling by Nirogacestat while minimizing gastrointestinal toxicity presents a promising approach for research of Notch receptor-dependent cancers[1].
CAS Number
1290543-63-3
UNSPSC
12352100
Target
Apoptosis; Reference Standards; γ-secretase
Related Pathways
Apoptosis; Neuronal Signaling; Others; Stem Cell/Wnt
Field of Research
Cancer
Smiles
FC1=C2C(CC[C@H](N[C@@H](CCC)C(NC3=CN(C(C)(C)CNCC(C)(C)C)C=N3)=O)C2)=CC(F)=C1
Molecular Formula
C27H41F2N5O
Molecular Weight
489.64
References & Citations
[1]Wei P, et al. Evaluation of selective gamma-secretase inhibitor PF-03084014 for its antitumor efficacy and gastrointestinal safety to guide optimal clinical trial design. Mol Cancer Ther. 2010 Jun;9 (6) :1618-28.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

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
BUP03122-01Nirogacestat
CS-O-59419Nirogacestat-d8
CS-O-59418Nirogacestat-d9
414400Nirogacestat HBr
CS-O-64446Nirogacestat-d5
CS-O-59420Nirogacestat-d11
T38266-01Nirogacestat dihydrobromide
CS-O-62353Nirogacestat Dihydrobromide-d6
C13127-10mM/1mLNirogacestat (PF-03084014)
CS-O-62173N-Nitroso Nirogacestat

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