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MedKoo Cat#: 531486 | Name: ASS234

Description:

WARNING: This product is for research use only, not for human or veterinary use.

ASS234 is a multitarget directed propargylamine for alzheimer's disease therapy.

Chemical Structure

ASS234
ASS234
CAS#1334106-34-1

Theoretical Analysis

MedKoo Cat#: 531486

Name: ASS234

CAS#: 1334106-34-1

Chemical Formula: C29H37N3O

Exact Mass: 443.2937

Molecular Weight: 443.64

Elemental Analysis: C, 78.51; H, 8.41; N, 9.47; O, 3.61

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
ASS234; AS S234; AS-S234
IUPAC/Chemical Name
N-[[5-[3-(1-benzylpiperidin-4-yl)propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine
InChi Key
ADCBAOTWERXLAP-UHFFFAOYSA-N
InChi Code
InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3
SMILES Code
C#CCN(CC(N1C)=CC2=C1C=CC(OCCCC3CCN(CC4=CC=CC=C4)CC3)=C2)C
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
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 443.64 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
1: Serrano MP, Herrero-Labrador R, Futch HS, Serrano J, Romero A, Fernandez AP, Samadi A, Unzeta M, Marco-Contelles J, Martínez-Murillo R. The proof-of-concept of ASS234: Peripherally administered ASS234 enters the central nervous system and reduces pathology in a male mouse model of Alzheimer disease. J Psychiatry Neurosci. 2016 Sep 20;41(6):150209. doi: 10.1503/jpn.150209. [Epub ahead of print] PubMed PMID: 27636528. 2: Ramsay RR, Majekova M, Medina M, Valoti M. Key Targets for Multi-Target Ligands Designed to Combat Neurodegeneration. Front Neurosci. 2016 Aug 22;10:375. doi: 10.3389/fnins.2016.00375. Review. PubMed PMID: 27597816; PubMed Central PMCID: PMC4992697. 3: Marco-Contelles J, Unzeta M, Bolea I, Esteban G, Ramsay RR, Romero A, Martínez-Murillo R, Carreiras MC, Ismaili L. ASS234, As a New Multi-Target Directed Propargylamine for Alzheimer's Disease Therapy. Front Neurosci. 2016 Jun 28;10:294. doi: 10.3389/fnins.2016.00294. PubMed PMID: 27445665; PubMed Central PMCID: PMC4923252. 4: Ramos E, Romero A, Marco-Contelles J, Del Pino J. Upregulation of Antioxidant Enzymes by ASS234, a Multitarget Directed Propargylamine for Alzheimer's Disease Therapy. CNS Neurosci Ther. 2016 Sep;22(9):799-802. doi: 10.1111/cns.12590. PubMed PMID: 27380946. 5: Unzeta M, Esteban G, Bolea I, Fogel WA, Ramsay RR, Youdim MB, Tipton KF, Marco-Contelles J. Multi-Target Directed Donepezil-Like Ligands for Alzheimer's Disease. Front Neurosci. 2016 May 25;10:205. doi: 10.3389/fnins.2016.00205. Review. PubMed PMID: 27252617; PubMed Central PMCID: PMC4879129. 6: Hughes RE, Nikolic K, Ramsay RR. One for All? Hitting Multiple Alzheimer's Disease Targets with One Drug. Front Neurosci. 2016 Apr 25;10:177. doi: 10.3389/fnins.2016.00177. Review. PubMed PMID: 27199640; PubMed Central PMCID: PMC4842778. 7: Bautista-Aguilera OM, Samadi A, Chioua M, Nikolic K, Filipic S, Agbaba D, Soriano E, de Andrés L, Rodríguez-Franco MI, Alcaro S, Ramsay RR, Ortuso F, Yañez M, Marco-Contelles J. N-Methyl-N-((1-methyl-5-(3-(1-(2-methylbenzyl)piperidin-4-yl)propoxy)-1H-indol-2- yl)methyl)prop-2-yn-1-amine, a new cholinesterase and monoamine oxidase dual inhibitor. J Med Chem. 2014 Dec 26;57(24):10455-63. doi: 10.1021/jm501501a. PubMed PMID: 25418133. 8: Bautista-Aguilera OM, Esteban G, Chioua M, Nikolic K, Agbaba D, Moraleda I, Iriepa I, Soriano E, Samadi A, Unzeta M, Marco-Contelles J. Multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease: design, synthesis, biochemical evaluation, ADMET, molecular modeling, and QSAR analysis of novel donepezil-pyridyl hybrids. Drug Des Devel Ther. 2014 Oct 13;8:1893-910. doi: 10.2147/DDDT.S69258. PubMed PMID: 25378907; PubMed Central PMCID: PMC4207550. 9: del Pino J, Ramos E, Aguilera OM, Marco-Contelles J, Romero A. Wnt signaling pathway, a potential target for Alzheimer's disease treatment, is activated by a novel multitarget compound ASS234. CNS Neurosci Ther. 2014 Jun;20(6):568-70. doi: 10.1111/cns.12269. PubMed PMID: 24712554. 10: Esteban G, Allan J, Samadi A, Mattevi A, Unzeta M, Marco-Contelles J, Binda C, Ramsay RR. Kinetic and structural analysis of the irreversible inhibition of human monoamine oxidases by ASS234, a multi-target compound designed for use in Alzheimer's disease. Biochim Biophys Acta. 2014 Jun;1844(6):1104-10. doi: 10.1016/j.bbapap.2014.03.006. PubMed PMID: 24642166. 11: Bautista-Aguilera OM, Esteban G, Bolea I, Nikolic K, Agbaba D, Moraleda I, Iriepa I, Samadi A, Soriano E, Unzeta M, Marco-Contelles J. Design, synthesis, pharmacological evaluation, QSAR analysis, molecular modeling and ADMET of novel donepezil-indolyl hybrids as multipotent cholinesterase/monoamine oxidase inhibitors for the potential treatment of Alzheimer's disease. Eur J Med Chem. 2014 Mar 21;75:82-95. doi: 10.1016/j.ejmech.2013.12.028. PubMed PMID: 24530494. 12: Bolea I, Gella A, Monjas L, Pérez C, Rodríguez-Franco MI, Marco-Contelles J, Samadi A, Unzeta M. Multipotent, permeable drug ASS234 inhibits Aβ aggregation, possesses antioxidant properties and protects from Aβ-induced apoptosis in vitro. Curr Alzheimer Res. 2013 Oct;10(8):797-808. PubMed PMID: 23919774. 13: Stasiak A, Mussur M, Unzeta M, Samadi A, Marco-Contelles JL, Fogel WA. Effects of novel monoamine oxidases and cholinesterases targeting compounds on brain neurotransmitters and behavior in rat model of vascular dementia. Curr Pharm Des. 2014;20(2):161-71. PubMed PMID: 23701539. 14: Bolea I, Juárez-Jiménez J, de Los Ríos C, Chioua M, Pouplana R, Luque FJ, Unzeta M, Marco-Contelles J, Samadi A. Synthesis, biological evaluation, and molecular modeling of donepezil and N-[(5-(benzyloxy)-1-methyl-1H-indol-2-yl)methyl]-N-methylprop-2-yn-1-amine hybrids as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease. J Med Chem. 2011 Dec 22;54(24):8251-70. doi: 10.1021/jm200853t. PubMed PMID: 22023459.