Products for Research Use Only
RegisterLogin

AChE/BChE/BACE-1-IN-2

CAT: 0931-T60691-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T60691-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1877000-20-8
Target
ROS Kinase, Cholinesterase (ChE), Beta-Secretase, Others
Related Pathways
Neuroscience, Tyrosine Kinase/Adaptors, Others
Bioactivity
AChE/BChE/BACE-1-IN-2 (Compound 4o) is an orally active AChE, BACE-1, and BChE inhibitor with IC50 values of 0.069, 0.097, and 0.127 μM against hAChE, hBACE-1, and hBChE, respectively. It exhibits remarkable antioxidant potential, considerable binding capability towards PAS-AChE, potential disassembly of Aβ aggregates, and neuroprotective activity against Aβ-induced stress with excellent brain permeation [1].
Smiles
C(N1CC(NCC2=C(F)C=C(F)C=C2)CC1)C3=CC=CC=C3
Molecular Formula
C18H20F2N2
Molecular Weight
302.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AChE/BChE/BACE-1-IN-2
CAS Number1877000-20-8
PubChem CID162652477
IUPAC Name1-benzyl-N-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
Molecular FormulaC18H20F2N2
Molecular Weight302.4
XLogP3.2
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity333
SMILES
C1CN(CC1NCC2=C(C=C(C=C2)F)F)CC3=CC=CC=C3
InChI
InChI=1S/C18H20F2N2/c19-16-7-6-15(18(20)10-16)11-21-17-8-9-22(13-17)12-14-4-2-1-3-5-14/h1-7,10,17,21H,8-9,11-13H2
InChIKey
GZGCQOBTRUVMOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AChE/BChE/BACE-1-IN-2
CAS: 1877000-20-8
CID: 162652477
Formula: C18H20F2N2
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass302.15945497
Monoisotopic Mass302.15945497
Topological Polar Surface Area15.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity333
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T61206-01AChE/BChE/BACE-1-IN-1
T62274-01AChE/BChE-IN-2
T211734-01BChE/AChE-IN-1
T64156-01AChE/BChE-IN-1
T206543-01AChE/BChE-IN-26
T61994-01AChE/BChE-IN-8
T79548-01AChE/BChE-IN-13
T79966-01AChE/BChE-IN-14
T200193-01AChE/BChE-IN-21
T89412-01AChE/BChE-IN-20

Alternative Products

CatalogName
MBS5803417AChE/BChE/BACE-1-IN-2
HY-147658AChE/BChE/BACE-1-IN-1
HY-144753AChE/BChE-IN-2
GTR19264083-01BChE/AChE-IN-1
HY-131971AChE/BChE-IN-1
GTR19274895-01AChE/BChE/MAO-A-IN-1
HY-146663AChE/BChE-IN-3
HY-149211AChE/BChE-IN-12
HY-161508AChE/BChE-IN-19
HY-169205AChE/BChE-IN-22

Popular Products