Synonym
WAY 361789; WAY361789; WAY-361789
IUPAC/Chemical Name
1H-1,4-Diazepine-1-pentanamide, 4-acetylhexahydro-N-(5-(4-methoxyphenyl)-1H-pyrazol-3-yl)-
InChi Key
LKMWIEHGNOUIAH-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H31N5O3/c1-17(28)27-13-5-12-26(14-15-27)11-4-3-6-22(29)23-21-16-20(24-25-21)18-7-9-19(30-2)10-8-18/h7-10,16H,3-6,11-15H2,1-2H3,(H2,23,24,25,29)
SMILES Code
O=C(NC1=NNC(C2=CC=C(OC)C=C2)=C1)CCCCN3CCN(C(C)=O)CCC3
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
413.52
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: Zanaletti R, Bettinetti L, Castaldo C, Ceccarelli I, Cocconcelli G, Comery TA, Dunlop J, Genesio E, Ghiron C, Haydar SN, Jow F, Maccari L, Micco I, Nencini A, Pratelli C, Scali C, Turlizzi E, Valacchi M. N-[5-(5-fluoropyridin-3-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutyramide (SEN78702, WYE-308775): a medicinal chemistry effort toward an α7 nicotinic acetylcholine receptor agonist preclinical candidate. J Med Chem. 2012 Nov 26;55(22):10277-81. doi: 10.1021/jm3013568. PubMed PMID: 23083093.
2: Zanaletti R, Bettinetti L, Castaldo C, Cocconcelli G, Comery T, Dunlop J, Gaviraghi G, Ghiron C, Haydar SN, Jow F, Maccari L, Micco I, Nencini A, Scali C, Turlizzi E, Valacchi M. Discovery of a novel alpha-7 nicotinic acetylcholine receptor agonist series and characterization of the potent, selective, and orally efficacious agonist 5-(4-acetyl[1,4]diazepan-1-yl)pentanoic acid [5-(4-methoxyphenyl)-1H-pyrazol-3-yl] amide (SEN15924, WAY-361789). J Med Chem. 2012 May 24;55(10):4806-23. doi: 10.1021/jm300247y. PubMed PMID: 22468936.