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RO7185876

CAT: 1410-M35141-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M35141-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RO7185876 is a selective gamma secretase modulator, which can be used in the study of Alzheimer's disease.
CAS Number
2226038-71-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
483.532
Molecular Formula
C25H28F3N7
Notes
Research use only, not for human use.
Receptor
Gamma-secretase

Chemical Information

CID 139488755
CAS Number2226038-71-5
PubChem CID139488755
IUPAC Name(9S)-N-[(1S,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-9-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
Molecular FormulaC25H28F3N7
Molecular Weight483.5
XLogP4.8
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity719
SMILES
CC1=CC(=NC=N1)N2C[C@H]3CC[C@@H](C2)C3NC4=NN5CCCC[C@H](C5=N4)C6=C(C(=C(C=C6)F)F)F
InChI
InChI=1S/C25H28F3N7/c1-14-10-20(30-13-29-14)34-11-15-5-6-16(12-34)23(15)31-25-32-24-18(4-2-3-9-35(24)33-25)17-7-8-19(26)22(28)21(17)27/h7-8,10,13,15-16,18,23H,2-6,9,11-12H2,1H3,(H,31,33)/t15-,16+,18-,23?/m0/s1
InChIKey
XGTZKVXMDSWEOE-PLMYHDKJSA-N
Chemical Structure
2D Structure
2D structure of CID 139488755
CAS: 2226038-71-5
CID: 139488755
Formula: C25H28F3N7
MW: 483.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.5
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass483.23582841
Monoisotopic Mass483.23582841
Topological Polar Surface Area71.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity719
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

Alternative Products

CatalogName
MBS5800128RO7185876
T204358-01(9R) -RO7185876

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