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Nirogacestat dihydrobromide

CAT: 0013-GTR19190055-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190055-01Size:10 mg
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Description
This potent γ-secretase inhibitor demonstrates high activity with IC50 values of 1.2 nM (cellular) and 6.2 nM (cell-free) . It effectively lowers Aβ levels in the brain, cerebrospinal fluid, and plasma in rodent models, making it a valuable research tool for Alzheimer's disease and amyloid pathology studies in both in vitro and in vivo settings.
CAS Number
1962925-29-6
Field of Research
Cell Biology, Neuroscience, Protein Biochemistry, Stem Cell & Developmental Biology
Smiles
Br.Br.CCC[C@H] (N[C@H]1CCc2cc (F) cc (F) c2C1) C (=O) Nc1cn (cn1) C (C) (C) CNCC (C) (C) C
Molecular Formula
C27H43Br2F2N5O
Molecular Weight
651.48
Storage Conditions
-20°C
Notes
For research use only.

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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