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RO4929097

CAT: 1410-M16154-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M16154-04Size:25 mg
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Description
RO4929097 (RG 4733) is a potent, selective, orally active γ-secretase inhibitor with IC50 of 4 nM.
CAS Number
847925-91-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
469.4045
Molecular Formula
C22H20F5N3O3
Notes
Research use only, not for human use.
Receptor
Aβ40|γsecretase|γsecretase (ICN) |Notch

Chemical Information

Ro 4929097

RO4929097 is a member of the class of dibenzoazepines that is the amide formed from formal condensation of the carboxy group of 2,2-dimethyl-3-oxo-3-[(2,2,3,3,3-pentafluoropropyl)amino]propanoic acid with the amino group of (7S)-7-amino-5,7-dihydrodibenzo[b,d]azepin-6-one. It has a role as an EC 3.4.23.46 (memapsin 2) inhibitor. It is a lactam, a dicarboxylic acid diamide, an organofluorine compound and a dibenzoazepine.

CAS Number847925-91-1
PubChem CID49867930
IUPAC Name2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
Molecular FormulaC22H20F5N3O3
Molecular Weight469.4
XLogP4.6
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity771
SMILES
CC(C)(C(=O)NCC(C(F)(F)F)(F)F)C(=O)N[C@H]1C2=CC=CC=C2C3=CC=CC=C3NC1=O
InChI
InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1
InChIKey
OJPLJFIFUQPSJR-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Ro 4929097
CAS: 847925-91-1
CID: 49867930
Formula: C22H20F5N3O3
MW: 469.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.4
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass469.14248232
Monoisotopic Mass469.14248232
Topological Polar Surface Area87.3 Ų
Heavy Atom Count33
Formal Charge0
Complexity771
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A4005-SRO4929097

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