OX1R Antagonist 56

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

MedKoo CAT#: 564595

CAS#: NONE

Description: OX1R antagonist 56 is a brain penetrant which is a selective and high affinity OX1R antagonist.


Chemical Structure

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OX1R Antagonist 56
CAS# NONE

Theoretical Analysis

MedKoo Cat#: 564595
Name: OX1R Antagonist 56
CAS#: NONE
Chemical Formula: C21H24F3N5O2
Exact Mass: 435.1882
Molecular Weight: 435.45
Elemental Analysis: C, 57.92; H, 5.56; F, 13.09; N, 16.08; O, 7.35

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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

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: >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.

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

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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.