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Nirogacestat (dihydrobromide)

CAT: 0804-HY-15185B-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15185B-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nirogacestat dihydrobromide (PF-3084014 dihydrobromide) is a reversible, orally bioavailable, noncompetitive, and selective γ-secretase inhibitor with an IC50 of 6.2 nM. Inhibition of Notch signaling by Nirogacestat dihydrobromide while minimizing gastrointestinal toxicity presents a promising approach for research of Notch receptor-dependent cancers[1].
CAS Number
1962925-29-6
Product Name Alternative
PF-3084014 (dihydrobromide) ; PF-03084014 (dihydrobromide)
UNSPSC
12352005
Target
Apoptosis; γ-secretase
Type
Reference compound
Related Pathways
Apoptosis; Neuronal Signaling; Stem Cell/Wnt
Applications
Neuroscience-Neurodegeneration
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nirogacestat-dihydrobromide.html
Purity
99.9
Solubility
DMSO : 80 mg/mL (ultrasonic)
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.Br.Br
Molecular Formula
C27H43Br2F2N5O
Molecular Weight
651.47
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
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched
Citation 01
BioRxiv. 2025 May 28.|ACS Appl Mater Interfaces. 2024 Sep 11;16 (36) :47075-47088.|Cancer Cell. 2021 Mar 8;39 (3) :380-393.e8.|EBioMedicine. 2025 Aug 15:119:105879.|EMBO Mol Med. 2017 Jul;9 (7) :950-966.|Int J Oncol. 2018 Jul;53 (1) :99-112.|J Biol Chem. 2019 Jul 19;294 (29) :11276-11285.|J Biol Chem. 2021 Jan-Jun:296:100593.|J Clin Invest. 2020 Feb 3;130 (2) :612-624.|Mol Immunol. 2018 Jul:99:191-198.|Nat Biotechnol. 2024 Nov 25.|Nat Mater. 2025 Feb 17.|Nat Med. 2023 Sep;29 (9) :2295-2306.|Neuron. 2023 Jun 21;111 (12) :1898-1913.e5.|Research Square Print. 2023 Mar 20.

Chemical Information

Nirogacestat Hydrobromide

Nirogacestat dihydrobromide is a hydrobromide salt obtained by reaction of nirogacestat with two equivalents of hydrobromic acid. It has a role as an antineoplastic agent and a gamma-secretase modulator. It contains a nirogacestat(2+).

CAS Number1962925-29-6
PubChem CID121513889
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;dihydrobromide
Molecular FormulaC27H43Br2F2N5O
Molecular Weight651.5
Topological Polar Surface Area71
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count37
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.Br.Br
InChI
InChI=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
InChIKey
LXEYYZYDWLAIPW-KBVFCZPLSA-N
Chemical Structure
2D Structure
2D structure of Nirogacestat Hydrobromide
CAS: 1962925-29-6
CID: 121513889
Formula: C27H43Br2F2N5O
MW: 651.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight651.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass651.17819
Monoisotopic Mass649.18024
Topological Polar Surface Area71 Ų
Heavy Atom Count37
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 Count3
Compound Is CanonicalizedYes

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