Synonym
OX1R antagonist-56; OX1R antagonist56; OX-1R antagonist 56; OX1R antagonist 56
IUPAC/Chemical Name
N-({3-[(3-Ethoxy-6-methylpyridin-2-yl)carbonyl]-3-azabicyclo[4.1.0]hept-4-yl}methyl)-5-(trifluoromethyl)pyrimidin-2-amine
InChi Key
MJEJGMUTGRYQJO-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H24F3N5O2/c1-3-31-17-5-4-12(2)28-18(17)19(30)29-11-14-6-13(14)7-16(29)10-27-20-25-8-15(9-26-20)21(22,23)24/h4-5,8-9,13-14,16H,3,6-7,10-11H2,1-2H3,(H,25,26,27)
SMILES Code
FC(C1=CN=C(NCC2N(C(C3=NC(C)=CC=C3OCC)=O)CC4CC4C2)N=C1)(F)F
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
435.45
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: Bonaventure P, Yun S, Johnson PL, Shekhar A, Fitz SD, Shireman BT, Lebold TP, Nepomuceno D, Lord B, Wennerholm M, Shelton J, Carruthers N, Lovenberg T, Dugovic C. A selective orexin-1 receptor antagonist attenuates stress-induced hyperarousal without hypnotic effects. J Pharmacol Exp Ther. 2015 Mar;352(3):590-601. doi: 10.1124/jpet.114.220392. Epub 2015 Jan 12. PubMed PMID: 25583879; PubMed Central PMCID: PMC4352589.
2: White CL, Ishii Y, Mendoza T, Upton N, Stasi LP, Bray GA, York DA. Effect of a selective OX1R antagonist on food intake and body weight in two strains of rats that differ in susceptibility to dietary-induced obesity. Peptides. 2005 Nov;26(11):2331-8. PubMed PMID: 15893404.
