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SCH 900229

CAT: 0804-HY-18157Size: 1 EachDry Ice: NoHazardous: No
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Description
SCH 900229 is a potent γ-secretase inhibitor with selective activity against PS1. The Aβ40 IC50 value of SCH 900229 is 1.3 nM, showing its excellent ability in reducing Aβ. SCH 900229 has shown good Aβ-lowering effects after oral administration in preclinical animal models. SCH 900229 has been advanced to human clinical trials for further development of compounds for the inhibition of Alzheimer's disease[1].
CAS Number
1100361-36-1
UNSPSC
12352005
Target
Amyloid-β
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/sch-900229.html
Smiles
O=S([C@]12C3=C(F)C=CC(F)=C3OC[C@@]1([H])[C@@H](OCC2)CCS(C)(=O)=O)(C4=CC=C(C=C4)Cl)=O
Molecular Formula
C21H21ClF2O6S2
Molecular Weight
506.97
References & Citations
[1]Discovery of SCH 900229, a Potent Presenilin 1 Selective γ-Secretase Inhibitor for the Treatment of Alzheimer's Disease
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Sch-900229

structure in first source

CAS Number1100361-36-1
PubChem CID25164607
IUPAC Name(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-4-(2-methylsulfonylethyl)-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromene
Molecular FormulaC21H21ClF2O6S2
Molecular Weight507.0
XLogP3.1
Topological Polar Surface Area104
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity881
SMILES
CS(=O)(=O)CC[C@H]1[C@@H]2COC3=C(C=CC(=C3[C@@]2(CCO1)S(=O)(=O)C4=CC=C(C=C4)Cl)F)F
InChI
InChI=1S/C21H21ClF2O6S2/c1-31(25,26)11-8-18-15-12-30-20-17(24)7-6-16(23)19(20)21(15,9-10-29-18)32(27,28)14-4-2-13(22)3-5-14/h2-7,15,18H,8-12H2,1H3/t15-,18-,21-/m0/s1
InChIKey
AMXSRXZYBDALJG-XERREHJYSA-N
Chemical Structure
2D Structure
2D structure of Sch-900229
CAS: 1100361-36-1
CID: 25164607
Formula: C21H21ClF2O6S2
MW: 507.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.0
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass506.0436148
Monoisotopic Mass506.0436148
Topological Polar Surface Area104 Ų
Heavy Atom Count32
Formal Charge0
Complexity881
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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CatalogName
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