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A256

9-Amino-1,2,3,4-tetrahydroacridine bis 1,7-heptylene dihydrochloride

>97%, solid

Synonym(s):

heptylene-bis(THA) dihydrochloride, heptylene-bis(tacrine) dihydrochloride

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About This Item

Empirical Formula (Hill Notation):
C33H40N4 · 2HCl
CAS Number:
224445-12-9
Molecular Weight:
565.62
UNSPSC Code:
12352202
PubChem Substance ID:
24890669
MDL number:
MFCD08062163
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assay

>97%

form

solid

color

white

solubility

H2O: >10 mg/mL

storage temp.

2-8°C

SMILES string

Cl.Cl.C(CCCNc1c2CCCCc2nc3ccccc13)CCCNc4c5CCCCc5nc6ccccc46

InChI

1S/C33H40N4.2ClH/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33;;/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37);2*1H

InChI key

RHKXINFBJWDTSK-UHFFFAOYSA-N

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Sold under exclusive license from Mayo Foundation for Medical Education and Research.

Disclaimer

Extremely hygroscopic; store desiccated

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Synthesis of alkylene linked bis-THA and linked benzyl-THA as highly potent and selective inhibitors and molecular probes of acetylcholinesterase.
Pang, et al.
Journal of the Chemical Society. Perkin Transactions 1, 171-171 (1997)
Y P Pang et al.
The Journal of biological chemistry, 271(39), 23646-23649 (1996-09-27)
We report highly potent, selective, and low cost bifunctional acetylcholinesterase (AChE) inhibitors developed by our two-step prototype optimization strategy utilizing computer modeling of ligand docking with target proteins: 1) identify low affinity sites normally missed by x-ray crystallography; and 2)