TAE-1 Iodide
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MedKoo CAT#: 555949

CAS#: 1414469-59-2 (iodide)

Description: TAE-1 is a AChE inhibitor. TAE-1 inhibits acetylcholinesterase (AChE; IC50 = 0.465 µM for the human erythrocyte enzyme).


Chemical Structure

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TAE-1 Iodide
CAS# 1414469-59-2 (iodide)

Theoretical Analysis

MedKoo Cat#: 555949
Name: TAE-1 Iodide
CAS#: 1414469-59-2 (iodide)
Chemical Formula: C39H51I3N6O9
Exact Mass:
Molecular Weight: 1128.5834
Elemental Analysis: C, 41.51; H, 4.56; I, 33.73; N, 7.45; O, 12.76

Price and Availability

Size Price Availability Quantity
100.0mg USD 1350.0 2 Weeks
200.0mg USD 1950.0 2 Weeks
500.0mg USD 2950.0 2 Weeks
1.0g USD 3950.0 2 Weeks
2.0g USD 6950.0 2 Weeks
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Related CAS #: 1414836-54-6 (cation)   1414469-59-2 (iodide)    

Synonym: TAE-1 Iodide; TAE-1; TAE1; TAE 1;

IUPAC/Chemical Name: 2,2',2'-[1,3,5-triazine-2,4,6-triyltris(oxy-4,1-phenylenecarbonyloxy)]tris[N,N,N-trimethyl-ethanaminium], triiodide

InChi Key: SGOMELGTKOLYEZ-UHFFFAOYSA-K

InChi Code: 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

SMILES Code: O=C(OCC[N+](C)(C)C)C1=CC=C(OC2=NC(OC3=CC=C(C(OCC[N+](C)(C)C)=O)C=C3)=NC(OC4=CC=C(C(OCC[N+](C)(C)C)=O)C=C4)=N2)C=C1.[I-].[I-].[I-]

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 20.0

Preparing Stock Solutions

The following data is based on the product molecular weight 1128.5834 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Veloso AJ, Chow AM, Ganesh HV, Li N, Dhar D, Wu DC, Mikhaylichenko S, Brown IR, Kerman K. Electrochemical immunosensors for effective evaluation of amyloid- beta modulators on oligomeric and fibrillar aggregation processes. Anal Chem. 2014 May 20;86(10):4901-9. doi: 10.1021/ac500424t. Epub 2014 Apr 30. PMID: 24784791.

2: Veloso AJ, Chow AM, Dhar D, Tang DW, Ganesh HV, Mikhaylichenko S, Brown IR, Kerman K. Biological activity of sym-triazines with acetylcholine-like substitutions as multitarget modulators of Alzheimer's disease. ACS Chem Neurosci. 2013 Jun 19;4(6):924-9. doi: 10.1021/cn400028w. Epub 2013 Mar 21. PMID: 23472585; PMCID: PMC3689193.

3: Iwasawa T, Kagei S, Gotoh T, Yoshiike Y, Matsushita K, Kurihara H, Saito K, Matsubara S. Magnetic resonance analysis of abnormal diaphragmatic motion in patients with emphysema. Eur Respir J. 2002 Feb;19(2):225-31. doi: 10.1183/09031936.02.00044602. PMID: 11866002.