WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 593202
Description: JNJ-54717793 is a novel brain penetrant selective orexin 1 receptor antagonist.
MedKoo Cat#: 593202
Chemical Formula: C22H18F4N6O
Exact Mass: 458.1478
Molecular Weight: 458.4206
Elemental Analysis: C, 57.64; H, 3.96; F, 16.58; N, 18.33; O, 3.49
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Synonym: JNJ54717793; JNJ-54717793; JNJ 54717793
IUPAC/Chemical Name: (1S,2R,4R)-7-([(3-fluoro-2-pyrimidin-2-ylphenyl)carbonyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine)
InChi Key: NWUAUSABGZEYEW-WQVCFCJDSA-N
InChi Code: InChI=1S/C22H18F4N6O/c23-14-4-1-3-13(19(14)20-27-7-2-8-28-20)21(33)32-12-5-6-16(32)15(9-12)31-18-11-29-17(10-30-18)22(24,25)26/h1-4,7-8,10-12,15-16H,5-6,9H2,(H,30,31)/t12-,15-,16+/m1/s1
SMILES Code: O=C(C1=C(C2=NC=CC=N2)C(F)=CC=C1)N3[C@@H]4CC[C@H]3[C@H](NC5=CN=C(C(F)(F)F)C=N5)C4
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: 2934.99.9001
The following data is based on the product molecular weight 458.4206 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, Dugovic C, Shireman B, Preville C, Yun S, Lord B, Nepomuceno D, Wennerholm M, Lovenberg T, Carruthers N, Fitz SD, Shekhar A, Johnson PL. Evaluation of JNJ-54717793 a Novel Brain Penetrant Selective Orexin 1 Receptor Antagonist in Two Rat Models of Panic Attack Provocation. Front Pharmacol. 2017 Jun 9;8:357. doi: 10.3389/fphar.2017.00357. eCollection 2017. PubMed PMID: 28649201; PubMed Central PMCID: PMC5465257.