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

MedKoo CAT#: 593202

CAS#: 1628843-99-1

Description: JNJ-54717793 is a novel brain penetrant selective orexin 1 receptor antagonist.

Chemical Structure

CAS# 1628843-99-1

Theoretical Analysis

MedKoo Cat#: 593202
Name: JNJ54717793
CAS#: 1628843-99-1
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

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 or click below button.
Note: Price will be listed if it is available in the future.

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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 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

Preparing Stock Solutions

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.

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, 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.