Products for Research Use Only

YO-01027

CAT: 1410-M13326-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1410-M13326-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
YO-01027 (Dibenzazepine) is a dipeptidic γ-secretase inhibitor with IC50 of 2.6 nM and 2.9 nM for APPL and Notch cleavage, respectively.
CAS Number
209984-56-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
463.48
Molecular Formula
C26H23F2N3O3
Notes
Research use only, not for human use.
Receptor
Γ secretase (APPL) | γ secretase (Notch)

Chemical Information

(S)-2-(2-(3,5-Difluorophenyl)acetamido)-N-((S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)propanamide
CAS Number209984-56-5
PubChem CID11454028
IUPAC Name(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]propanamide
Molecular FormulaC26H23F2N3O3
Molecular Weight463.5
XLogP3.6
Topological Polar Surface Area78.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity756
SMILES
C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)C)NC(=O)CC4=CC(=CC(=C4)F)F
InChI
InChI=1S/C26H23F2N3O3/c1-15(29-23(32)13-16-11-17(27)14-18(28)12-16)25(33)30-24-21-9-4-3-7-19(21)20-8-5-6-10-22(20)31(2)26(24)34/h3-12,14-15,24H,13H2,1-2H3,(H,29,32)(H,30,33)/t15-,24-/m0/s1
InChIKey
QSHGISMANBKLQL-OWJWWREXSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-(2-(3,5-Difluorophenyl)acetamido)-N-((S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)propanamide
CAS: 209984-56-5
CID: 11454028
Formula: C26H23F2N3O3
MW: 463.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight463.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass463.17074793
Monoisotopic Mass463.17074793
Topological Polar Surface Area78.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity756
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes