IUPAC/Chemical Name
N-Methyl-N-((1-methyl-5-(3-(piperidin-1-yl)propoxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine
InChi Key
NQDGCGNKNJWZHP-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
SMILES Code
C#CCN(C)CC(N1C)=CC2=C1C=CC(OCCCN3CCCCC3)=C2
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
>3 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
2934.99.03.00
Preparing Stock Solutions
The following data is based on the
product
molecular weight
353.51
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.
| 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: Bautista-Aguilera ÓM, Budni J, Mina F, Medeiros EB, Deuther-Conrad W, Entrena JM, Moraleda I, Iriepa I, López-Muñoz F, Marco-Contelles J. Contilisant, a Tetratarget Small Molecule for Alzheimer's Disease Therapy Combining Cholinesterase, Monoamine Oxidase Inhibition, and H3R Antagonism with S1R Agonism Profile. J Med Chem. 2018 Aug 9;61(15):6937-6943. doi: 10.1021/acs.jmedchem.8b00848. Epub 2018 Jul 18. PubMed PMID: 29969030.
2: Bautista-Aguilera ÓM, Hagenow S, Palomino-Antolin A, Farré-Alins V, Ismaili L, Joffrin PL, Jimeno ML, Soukup O, Janočková J, Kalinowsky L, Proschak E, Iriepa I, Moraleda I, Schwed JS, Romero Martínez A, López-Muñoz F, Chioua M, Egea J, Ramsay RR, Marco-Contelles J, Stark H. Multitarget-Directed Ligands Combining Cholinesterase and Monoamine Oxidase Inhibition with Histamine H(3) R Antagonism for Neurodegenerative Diseases. Angew Chem Int Ed Engl. 2017 Oct 2;56(41):12765-12769. doi: 10.1002/anie.201706072. Epub 2017 Sep 1. PubMed PMID: 28861918.
