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BMS 433796

CAT: 0804-HY-50884-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-50884-01Size:1 mg
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Description
BMS 433796 is a γ-secretase inhibitor with Aβ lowering activity in a transgenic mouse model of Alzheimer's disease.
CAS Number
935525-13-6
UNSPSC
12352005
Target
γ-secretase
Type
Reference compound
Related Pathways
Neuronal Signaling; Stem Cell/Wnt
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/BMS_433796.html
Solubility
10 mM in DMSO
Smiles
O[C@@H](C1=CC(F)=CC(F)=C1)C(N[C@@H](C)C(N[C@H]2C3=CC=CC=C3C=NN(C2=O)C)=O)=O
Molecular Formula
C21H20F2N4O4
Molecular Weight
430.40
References & Citations
[1]Prasad CV, et al. Discovery of (S) -2- ((S) -2- (3,5-difluorophenyl) -2-hydroxyacetamido) -N- ((S, Z) -3-methyl-4-oxo-4,5-dihydro-3H-benzo[d][1,2]diazepin-5-yl) propanamide (BMS-433796) : a gamma-secretase inhibitor with Abeta lowering activity in a transgenic mouse model of Alzheimer's disease. Bioorg Med Chem Lett. 2007 Jul 15;17 (14) :4006-11.|[2]Goldstein ME, et al. Ex vivo occupancy of gamma-secretase inhibitors correlates with brain beta-amyloid peptide reduction in Tg2576 mice. J Pharmacol Exp Ther. 2007 Oct;323 (1) :102-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Bms-433796
CAS Number935525-13-6
PubChem CID23656215
IUPAC Name(2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(5S)-3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl]propanamide
Molecular FormulaC21H20F2N4O4
Molecular Weight430.4
XLogP1.3
Topological Polar Surface Area111
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity711
SMILES
C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2C=NN(C1=O)C)NC(=O)[C@H](C3=CC(=CC(=C3)F)F)O
InChI
InChI=1S/C21H20F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17-18,28H,1-2H3,(H,25,30)(H,26,29)/t11-,17-,18-/m0/s1
InChIKey
HXEHCCYOTHDPPI-NBHSMZAVSA-N
Chemical Structure
2D Structure
2D structure of Bms-433796
CAS: 935525-13-6
CID: 23656215
Formula: C21H20F2N4O4
MW: 430.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.4
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass430.14526146
Monoisotopic Mass430.14526146
Topological Polar Surface Area111 Ų
Heavy Atom Count31
Formal Charge0
Complexity711
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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