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TAE-1

CAT: 1410-M23568-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M23568-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TAE-1 is an inhibitor of amyloid-β fibril formation and aggregation. It inhibits cholinesterases AChE and BuChE with IC50 of 0.3 μM and 3.9 μM, respectively.
CAS Number
1414469-59-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1128.57
Molecular Formula
C39H51I3N6O9
Notes
Research use only, not for human use.
Receptor
AChE|amyloid-β

Chemical Information

2-[4-[[4,6-Bis[4-[2-(trimethylazaniumyl)ethoxycarbonyl]phenoxy]-1,3,5-triazin-2-yl]oxy]benzoyl]oxyethyl-trimethylazanium;triiodide
CAS Number1414469-59-2
PubChem CID91885432
IUPAC Name2-[4-[[4,6-bis[4-[2-(trimethylazaniumyl)ethoxycarbonyl]phenoxy]-1,3,5-triazin-2-yl]oxy]benzoyl]oxyethyl-trimethylazanium triiodide
Molecular FormulaC39H51I3N6O9
Molecular Weight1128.6
Topological Polar Surface Area145
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count15
Rotatable Bond Count21
Heavy Atom Count57
Formal Charge0
Complexity1010
SMILES
C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)OC3=CC=C(C=C3)C(=O)OCC[N+](C)(C)C)OC4=CC=C(C=C4)C(=O)OCC[N+](C)(C)C.[I-].[I-].[I-]
InChI
InChI=1S/C39H51N6O9.3HI/c1-43(2,3)22-25-49-34(46)28-10-16-31(17-11-28)52-37-40-38(53-32-18-12-29(13-19-32)35(47)50-26-23-44(4,5)6)42-39(41-37)54-33-20-14-30(15-21-33)36(48)51-27-24-45(7,8)9;;;/h10-21H,22-27H2,1-9H3;3*1H/q+3;;;/p-3
InChIKey
SGOMELGTKOLYEZ-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of 2-[4-[[4,6-Bis[4-[2-(trimethylazaniumyl)ethoxycarbonyl]phenoxy]-1,3,5-triazin-2-yl]oxy]benzoyl]oxyethyl-trimethylazanium;triiodide
CAS: 1414469-59-2
CID: 91885432
Formula: C39H51I3N6O9
MW: 1128.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1128.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count15
Rotatable Bond Count21
Exact Mass1128.0852
Monoisotopic Mass1128.0852
Topological Polar Surface Area145 Ų
Heavy Atom Count57
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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