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Chemical structure of JNJ-54717793

GC63415

JNJ-54717793

Also known as (3-fluoro-2-pyrimidin-2-ylphenyl)-[(1S,2R,4R)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

JNJ-54717793, as a brain penetrant, is an orally active, selective and high affinity orexin-1 receptor (OX1R) antagonist (plasma EC50=85 ng/mL)

ChemicalCAS1628843-99-1MW458.41FormulaC22H18F4N6O
CAS number
1628843-99-1
Molecular weight
458.41
Formula
C22H18F4N6O
Solubility
DMSO ： 240 mg/mL (523·55 mM; Need ultrasonic)
InChIKey
NWUAUSABGZEYEW-WQVCFCJDSA-N
Catalogue number
GC63415
Brand
GLPBIO
Computed properties PubChem CID 90412187 · XLogP 3 · TPSA 83.9 Ų · H-bond donors 1
XLogP
3
TPSA
83.9 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
33

SMILES C1C[C@H]2[C@@H](C[C@@H]1N2C(=O)C3=C(C(=CC=C3)F)C4=NC=CC=N4)NC5=NC=C(N=C5)C(F)(F)F

Computed descriptors from PubChem (CID 90412187), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.