IUPAC/Chemical Name
2-(1H-Indol-3-ylmethyl)-9-(4-methoxy-2-pyrimidinyl)-2,9-diazaspiro[5.5]undecan-1-one
InChi Key
PCMHOSYCWRRHTG-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H27N5O2/c1-30-20-7-11-24-22(26-20)27-13-9-23(10-14-27)8-4-12-28(21(23)29)16-17-15-25-19-6-3-2-5-18(17)19/h2-3,5-7,11,15,25H,4,8-10,12-14,16H2,1H3
SMILES Code
O=C1N(CC2=CNC3=C2C=CC=C3)CCCC14CCN(C5=NC=CC(OC)=N5)CC4
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
Biological target:
IPSU is a selective, orally available and brain penetrant OX2R antagonist with a pKi of 7.85.
|
Solvent |
mg/mL |
mM |
| Solubility |
| DMSO |
30.0 |
73.98 |
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
405.50
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 |
Formulation protocol:
TBD
1: Callander GE, Olorunda M, Monna D, Schuepbach E, Langenegger D, Betschart C,
Hintermann S, Behnke D, Cotesta S, Fendt M, Laue G, Ofner S, Briard E, Gee CE,
Jacobson LH, Hoyer D. Kinetic properties of "dual" orexin receptor antagonists
at OX1R and OX2R orexin receptors. Front Neurosci. 2013 Dec 3;7:230. doi:
10.3389/fnins.2013.00230. PMID: 24376396; PMCID: PMC3847553.
2: Fitzpatrick E, Bourke B, Drumm B, Rowland M. The incidence of cyclic vomiting
syndrome in children: population-based study. Am J Gastroenterol. 2008
Apr;103(4):991-5; quiz 996. doi: 10.1111/j.1572-0241.2007.01668.x. Epub 2007 Dec
5. PMID: 18070235.
3: Neary E, Hourihane JO. Specific allergen immunotherapy use in 2012: an Irish
Paediatric Surveillance Unit (IPSU) study. Ir Med J. 2013 Oct;106(9):283-4.
PMID: 24416855.
4: Hoyer D, Dürst T, Fendt M, Jacobson LH, Betschart C, Hintermann S, Behnke D,
Cotesta S, Laue G, Ofner S, Legangneux E, Gee CE. Distinct effects of IPSU and
suvorexant on mouse sleep architecture. Front Neurosci. 2013 Dec 10;7:235. doi:
10.3389/fnins.2013.00235. PMID: 24368893; PMCID: PMC3857892.
5: Jha S, Walters SJ, Bortolami O, Dixon S, Alshreef A. Impact of pelvic floor
muscle training on sexual function of women with urinary incontinence and a
comparison of electrical stimulation versus standard treatment (IPSU trial): a
randomised controlled trial. Physiotherapy. 2018 Mar;104(1):91-97. doi:
10.1016/j.physio.2017.06.003. Epub 2017 Jun 23. PMID: 28801034.
